SCHEMBL21189644

SCHEMBL21189644

O=C(O)c1ccc(C(c2ccccc2)(c2cc(-c3ccc(S)cc3)ccc2S)c2cc(-c3ccc(S)cc3)ccc2S)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.47
RXRB P28702 4/20 0.47
RXRG P48443 3/20 0.43
EGFR P00533 1/20 0.41
KMO O15229 1/20 0.41
EPHX2 P34913 2/20 0.40
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
DHODH Q02127 1/20 0.38
PDK2 Q15119 1/20 0.38
SRD5A2 P31213 2/20 0.38
BCL2 P10415 1/20 0.38
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL21189641 0.87 KIF11 (0.35) CYP2C9
SCHEMBL22991437 0.82 RXRA (0.38) RXRARXRBRXRGEGFRKMO
SCHEMBL23861386 0.80 EGFR (0.49) RXRARXRBRXRGEGFRSRD5A2
SCHEMBL22738056 0.78 RXRA (0.39) RXRARXRBRXRGEGFRKMO
SCHEMBL21189497 0.77 KIF11 (0.34)
SCHEMBL22991339 0.74 TSHR (0.36)
SCHEMBL29103870 0.73 BCL2L1 (0.60) RXRARXRBRXRGEGFRSRD5A2
SCHEMBL21189646 0.73 RXRA (0.47) RXRARXRBRXRGEGFRKMO
SCHEMBL21189809 0.72 ESR1 (0.35) RXRARXRBCYP2C9
SCHEMBL20721895 0.72 TSHR (0.59) RXRARXRBRXRGEPHX2SRD5A2

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
WO-2019142897-A1 COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD 三菱瓦斯化学株式会社 2019-07-25 WO disclosed