SCHEMBL8329422

SCHEMBL8329422

CC(C)c1ccc(C2=CC(C)(C)Oc3ccc(C#Cc4ccccc4C(=O)O)cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARA P10276 11/20 0.44
RARB P10826 11/20 0.44
RARG P13631 11/20 0.44
DHODH Q02127 2/20 0.35
GPR35 Q9HC97 2/20 0.34
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32

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
SCHEMBL8335170 0.87 RARB (0.44) RARARARBRARGNPC1RAB9A
SCHEMBL6593233 0.85 RARA (0.60) RARARARBRARG
SCHEMBL8329424 0.81 RARA (0.42) RARARARBRARGMMP2MMP9
SCHEMBL6592317 0.78 RARA (0.56) RARARARBRARG
SCHEMBL8329425 0.77 RARA (0.41) RARARARBRARGDHODHGPR35
SCHEMBL6590162 0.77 RARA (0.46) RARARARBRARGNPC1RAB9A
SCHEMBL6592120 0.75 RARA (0.52) RARARARBRARG
SCHEMBL6593231 0.74 RARA (0.67) RARARARBRARG
SCHEMBL6592227 0.73 RARB (0.46) RARARARBRARGRAB9A
SCHEMBL8328655 0.73 RARB (0.52) RARARARBRARGNPC1RAB9A

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