SCHEMBL6971092

SCHEMBL6971092

CC(=O)Nc1ccccc1OC([O])=O

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.64
BRD4 O60885 1/20 0.57
POLB P06746 3/20 0.56
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.51
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL9287644 0.89 HSD17B10 (0.68) HSD17B10BRD4POLBALDH1A1HPGD
SCHEMBL8886874 0.87 HSD17B10 (0.66) HSD17B10BRD4POLBALDH1A1HPGD
SCHEMBL29315383 0.85 HSD17B10 (0.64) HSD17B10BRD4POLBALDH1A1HPGD
SCHEMBL30892502 0.82 BRD4 (0.62) HSD17B10BRD4POLBALDH1A1HPGD
SCHEMBL10822262 0.82 BRD4 (0.62) HSD17B10BRD4POLBALDH1A1HPGD
SCHEMBL6971901 0.81 KDM4E (0.48) HSD17B10POLBALDH1A1HPGDLMNA
SCHEMBL30356246 0.81 KMT2A (0.70) BRD4POLBALDH1A1LMNASMN1; SMN2
SCHEMBL171580 0.81 KMT2A (0.70) BRD4POLBALDH1A1LMNASMN1; SMN2
SCHEMBL10930815 0.81 HSD17B10 (0.59) HSD17B10BRD4POLBALDH1A1HPGD
SCHEMBL27596581 0.81 HSD17B10 (0.68) HSD17B10BRD4POLBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed