SCHEMBL8331925

SCHEMBL8331925

C#Cc1cc(-c2ccc3c(c2)C(c2ccc(C)s2)=CC(C)(C)S3)ccc1C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.48
RARB P10826 4/20 0.48
RARG P13631 4/20 0.48
ALDH1A1 P00352 8/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MPI P34949 1/20 0.35
HSD17B10 Q99714 3/20 0.34
RAB9A P51151 3/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 2/20 0.34
PKM P14618 1/20 0.33
HPGD P15428 6/20 0.32
KDM4E B2RXH2 2/20 0.32
JUN P05412 2/20 0.32
NFKB1 P19838 2/20 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
SCHEMBL8329764 0.80 RARB (0.49) RARARARBRARGALDH1A1MEN1
SCHEMBL6591846 0.76 RARA (0.48) RARARARBRARGALDH1A1MEN1
SCHEMBL8328688 0.75 RARA (0.52) RARARARBRARGALDH1A1MEN1
SCHEMBL6589052 0.72 RARA (0.47) RARARARBRARGALDH1A1MEN1
SCHEMBL8327478 0.69 RARB (0.40) RARARARBRARGRAB9ANPC1
SCHEMBL8331408 0.69 RARB (0.37) RARARARBRARGALDH1A1MEN1
SCHEMBL9007048 0.69 RARA (0.37) RARARARBRARGALDH1A1MEN1
SCHEMBL8331030 0.68 RARA (0.48) RARARARBRARGKMT2ARAB9A
SCHEMBL9007121 0.68 RARA (0.43) RARARARBRARGALDH1A1MEN1
SCHEMBL6590745 0.67 RARA (0.40) RARARARBRARGMEN1KMT2A

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