SCHEMBL8958730

SCHEMBL8958730

[CH2]CCC(O)CC(C)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GALR3 O60755 1/20 0.41
BLM P54132 1/20 0.41
USP2 O75604 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
HPGD P15428 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
FAAH O00519 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
SCHEMBL8570409 0.81
SCHEMBL18927916 0.79 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL820672 0.78 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17427809 0.78 CHRM1 (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10331178 0.76 TSHR (0.58) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL3751182 0.74 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14401391 0.74 ALOX15 (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14087827 0.74 TSHR (0.56) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL766233 0.74 TSHR (0.56) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL8573948 0.74 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510468-A FOR DYEING NATURAL OR SYNTHETIC SUBSTRATES BASF AKTIENGESELLSCHAFT (DE) 1996-04-23 US disclosed
US-5380859-A Couplers for preparing azo dyes BASF AKTIENGESELLSCHAFT (DE) 1995-01-10 US disclosed
EP-0572450-B1 AZO DYES HAVING A DIAZO COMPONENT FROM THE AMINOBENZOPHENONE SERIES, AS WELL AS BISULPHONATED PYRIDONE COMPOUNDS BASF AG (DE) 1994-10-26 EP disclosed
EP-0572450-A1 AZO DYES HAVING A DIAZO COMPONENT FROM THE AMINOBENZOPHENONE SERIES, AS WELL AS BISULPHONATED PYRIDONE COMPOUNDS. BASF AG (DE) 1993-12-08 EP disclosed
WO-1992014791-A1 AZO DYES HAVING A DIAZO COMPONENT FROM THE AMINOBENZOPHENONE SERIES, AS WELL AS BISULPHONATED PYRIDONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1992-09-03 WO disclosed
EP-0400451-A1 Benzisothiazolazo dyes with a coupling component of thiazole or pyridine series BASF Aktiengesellschaft (DE) 1990-12-05 EP disclosed