SCHEMBL9621840

SCHEMBL9621840

CCC(CC(=O)Oc1ccccc1)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
TSHR P16473 3/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP3A4 P08684 1/20 0.42
HIF1A Q16665 1/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL9621841 0.77 ALDH1A1 (0.44) TSHRALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL3898954 0.76 ALDH1A1 (0.54) TSHRALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL500356 0.75 ALDH1A1 (0.44) HSD17B10TSHRALDH1A1SMN1; SMN2RAB9A
SCHEMBL24177783 0.73 KMT2A (0.58) HSD17B10ALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL17955813 0.73 KMT2A (0.46) HSD17B10TSHRALDH1A1SMN1; SMN2RAB9A
SCHEMBL289002 0.72 ELANE (0.49) HSD17B10ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL6985270 0.71 IDO1 (0.50) HSD17B10ALDH1A1KMT2AKDM4EPOLB
SCHEMBL28705461 0.71 KMT2A (0.50) HSD17B10ALDH1A1HPGDKMT2ALMNA
SCHEMBL27819847 0.71 ALDH1A1 (0.61) ALDH1A1MAPTKMT2ALMNA
SCHEMBL8616996 0.70 KDM4E (0.44) HSD17B10TSHRALDH1A1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269078-B1 ISOMERIZATION PROCESS OF 2-CIS-PENTENOIC-ACID ESTERS TO 2-TRANS-PENTENOIC-ACID ESTERS BASF Aktiengesellschaft (DE) 1992-04-15 EP disclosed
US-4791220-A HEATING WITH AMINE CATALYST BASF AKTIENGESELLSCHAFT (DE) 1988-12-13 US disclosed
EP-0269078-A2 Isomerization process of 2-cis-pentenoic-acid esters to 2-trans-pentenoic-acid esters BASF Aktiengesellschaft (DE) 1988-06-01 EP disclosed