SCHEMBL10782837

SCHEMBL10782837

CC(=O)OC/C=C(\C)C(OC(C)=O)OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 2/20 0.44
PTPN1 P18031 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 3/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
TBXA2R P21731 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
PGR P06401 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10782842 1.00 ALDH1A1 (0.44) ALDH1A1ALOX15PTPN1TDP1TSHR
SCHEMBL8015610 0.83 ALDH1A1 (0.44) ALDH1A1ALOX15PTPN1TDP1TSHR
SCHEMBL11402672 0.83 ALDH1A1 (0.44) ALDH1A1ALOX15PTPN1TDP1TSHR
SCHEMBL8015613 0.83 ALDH1A1 (0.44) ALDH1A1ALOX15PTPN1TDP1TSHR
SCHEMBL8008448 0.82 ALDH1A1 (0.44) ALDH1A1ALOX15PTPN1TSHRLMNA
SCHEMBL8008451 0.82 ALDH1A1 (0.44) ALDH1A1ALOX15PTPN1TSHRLMNA
Alcohol SCHEMBL7938333 0.79 ALDH1A1 (0.41) ALDH1A1ALOX15PTPN1TSHRLMNA
Alcohol SCHEMBL7938331 0.79 ALDH1A1 (0.41) ALDH1A1ALOX15PTPN1TSHRLMNA
SCHEMBL10785233 0.78 TSHR (0.39) ALOX15TDP1TSHRCHRM2CHRM4
SCHEMBL8022949 0.78 ALDH1A1 (0.47) ALDH1A1ALOX15PTPN1TDP1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4618704-A Acyloxy-2-butenes and their preparation BASF AKTIENGESELLSCHAFT (DE) 1986-10-21 US claimed
US-4284796-A Preparation of 4-acyloxy-2-methyl-crotonaldehydes BASF AKTIENGESELLSCHAFT (DE) 1981-08-18 US claimed
EP-0010656-B1 PROCESS FOR THE PREPARATION OF 4-ACYLOXY-2-METHYLCROTONALDEHYDES BASF Aktiengesellschaft (DE) 1981-04-22 EP claimed
EP-0005452-B1 ACYLOXY-2-BUTENES, THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF 4-ACETOXYTIGLINALDEHYDE BASF Aktiengesellschaft (DE) 1980-10-01 EP claimed
EP-0010656-A1 Process for the preparation of 4-acyloxy-2-methylcrotonaldehydes BASF Aktiengesellschaft (DE) 1980-05-14 EP claimed
EP-0005452-A1 Acyloxy-2-butenes, their preparation and their use for the preparation of 4-acetoxytiglinaldehyde BASF Aktiengesellschaft (DE) 1979-11-28 EP claimed
EP-0087097-B1 2-ALKYL-1,3-DIACYLOXY-4-HYDROXY-1-BUTENES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1987-05-13 EP disclosed
EP-0118877-B1 PROCESS FOR THE PREPARATION OF DIACYLOXYBUTENES BASF Aktiengesellschaft (DE) 1986-10-29 EP disclosed
US-4618704-A Acyloxy-2-butenes and their preparation BASF AKTIENGESELLSCHAFT (DE) 1986-10-21 US disclosed
EP-0110309-B1 PROCESS FOR THE PREPARATION OF 1,4-DIACYLOXY-1,3-BUTADIENES BASF Aktiengesellschaft (DE) 1986-02-19 EP disclosed
US-4504676-A Preparation of diacyloxybutenes BASF AKTIENGESELLSCHAFT (DE) 1985-03-12 US disclosed
EP-0118877-A2 Process for the preparation of diacyloxybutenes BASF Aktiengesellschaft (DE) 1984-09-19 EP disclosed
EP-0110309-A1 Process for the preparation of 1,4-diacyloxy-1,3-butadienes BASF Aktiengesellschaft (DE) 1984-06-13 EP disclosed
EP-0042097-A1 Process for the reactivation of support catalysts that contain palladium or platinum, copper and tellurium BASF Aktiengesellschaft (DE) 1981-12-23 EP disclosed
US-4284796-A Preparation of 4-acyloxy-2-methyl-crotonaldehydes BASF AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed
EP-0027979-A1 Process for preparing acyloxy butenes BASF Aktiengesellschaft (DE) 1981-05-06 EP disclosed
EP-0010656-B1 PROCESS FOR THE PREPARATION OF 4-ACYLOXY-2-METHYLCROTONALDEHYDES BASF Aktiengesellschaft (DE) 1981-04-22 EP disclosed
EP-0005452-B1 ACYLOXY-2-BUTENES, THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF 4-ACETOXYTIGLINALDEHYDE BASF Aktiengesellschaft (DE) 1980-10-01 EP disclosed
EP-0010656-A1 Process for the preparation of 4-acyloxy-2-methylcrotonaldehydes BASF Aktiengesellschaft (DE) 1980-05-14 EP disclosed
EP-0005452-A1 Acyloxy-2-butenes, their preparation and their use for the preparation of 4-acetoxytiglinaldehyde BASF Aktiengesellschaft (DE) 1979-11-28 EP disclosed