SCHEMBL10675397

SCHEMBL10675397

COc1ccc(-c2cc3ccc(C(=O)O)cc3o2)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.53
RARG P13631 9/20 0.53
RARA P10276 6/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
NR1I2 O75469 1/20 0.53
LMNA P02545 1/20 0.53
PGR P06401 1/20 0.53
HSPD1 P10809 1/20 0.53
GOT1 P17174 1/20 0.53
GLRA1 P23415 1/20 0.53
BLM P54132 1/20 0.53
HSPE1 P61604 1/20 0.53
KDM4E B2RXH2 2/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 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
SCHEMBL9300831 0.82 RARB (0.69) RARBRARGRARAMEN1KMT2A
SCHEMBL8458032 0.81 RARG (0.74) RARBRARGRARAMEN1KMT2A
SCHEMBL9622135 0.77 RARB (0.61) RARBRARGRARAMEN1KMT2A
SCHEMBL7052829 0.75 RARG (0.70) RARBRARGRARAMEN1KMT2A
SCHEMBL9622121 0.73 ALDH1A1 (0.53) RARBRARGRARAMEN1KMT2A
SCHEMBL6535667 0.73 RARG (0.74) RARBRARGRARAMEN1KMT2A
SCHEMBL6878528 0.72 KMT2A (0.51) RARBRARGRARAMEN1KMT2A
SCHEMBL11826391 0.72 NR4A2 (0.58) TDP1KDM4ETP53MAPTALDH1A1
SCHEMBL29222875 0.71 WDR5 (0.45) RARBRARGRARAMEN1KMT2A
SCHEMBL9622379 0.70 RARB (0.50) RARBRARGRARAMEN1KMT2A

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-4740519-A Benzo (b) thiophene carboxylate derivatives and pharmaceutical compositions CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1988-04-26 US disclosed