SCHEMBL8206929

SCHEMBL8206929

CCc1cc(C(=O)NCc2ccc(OC)c(OC)c2)c(NC(=O)c2ccc(C(=O)OC)cc2)s1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.56
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 2/20 0.48

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
SCHEMBL7893018 0.92 NR1H4 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8207730 0.92 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8200517 0.88 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8199066 0.87 LMNA (0.52) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL8207045 0.86 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8206984 0.86 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8200394 0.84 HPGD (0.55) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7428203 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8207378 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8245383 0.80 ROCK2 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed