SCHEMBL8667637

SCHEMBL8667637

COc1ccc(C(=O)c2ccccc2NC(=O)C2CCCO2)cc1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.75
SMN1; SMN2 Q16637 6/20 0.75
ALDH1A1 P00352 4/20 0.75
KDM4E B2RXH2 3/20 0.69
HPGD P15428 4/20 0.63
HTT P42858 2/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 2/20 0.56
NPC1 O15118 6/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 3/20 0.54
MAPK1 P28482 2/20 0.54
TSHR P16473 1/20 0.54
POLB P06746 2/20 0.53

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
SCHEMBL6961983 0.81 ALDH1A1 (0.51) RAB9ASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL4603679 0.78 SMN1; SMN2 (0.74) RAB9ASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL16383886 0.76 SMN1; SMN2 (0.77) RAB9ASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL9002518 0.73 F10 (0.72) RAB9ASMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL15120766 0.73 HSD17B10 (0.68) RAB9ASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL1707707 0.72 SMN1; SMN2 (0.75) RAB9ASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL19268078 0.71 KMT2A (0.54) RAB9ASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL27469650 0.71 HCAR2 (0.59) RAB9ASMN1; SMN2ALDH1A1KDM4EKMT2A
Bromide SCHEMBL7622448 0.70 HCAR2 (0.57) RAB9ASMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL10073854 0.70 HSD17B10 (0.64) RAB9ASMN1; SMN2ALDH1A1KDM4EHPGD

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
US-5726306-A INHIBITORS OF SQUALENE SYNTHETASE AND FUNGAL GROWTH; USEFUL IN TREATING AND PREVENTING HYPERLIPIDEMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-10 US disclosed