SCHEMBL8329653

SCHEMBL8329653

C#Cc1c(C(=O)O)cccc1-c1ccc2c(c1)C(c1ccc(C)nc1)=CC(C)(C)S2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
MTOR P42345 2/20 0.33
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
EIF4EBP1 Q13541 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8328688 0.84 RARA (0.52) RARARARBRARGALDH1A1NPC1
SCHEMBL8331248 0.83 RARB (0.38) RARARARBRARGKDM4E
SCHEMBL8330182 0.75 RARA (0.47) RARARARBRARG
SCHEMBL8329823 0.74 RARA (0.46) RARARARBRARGKDM4EEIF4EBP1
SCHEMBL8333207 0.72 RARB (0.38) RARARARBRARGRAB9A
SCHEMBL8329461 0.71 RARA (0.49) RARARARBRARGNPC1GAA
SCHEMBL8327517 0.71 RARA (0.40) RARARARBRARGRAB9A
SCHEMBL8331032 0.69 RARA (0.53) RARARARBRARGALDH1A1NPC1
SCHEMBL8331802 0.69 RARA (0.52) RARARARBRARGNPC1GAA
SCHEMBL8332455 0.68 RARA (0.44) RARARARBRARG

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-5958954-A 2,2-DIALKYL-4-ARYL-SUBSTITUTED BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES ALLERGAN SALES, INC. (US) 1999-09-28 US disclosed