SCHEMBL9515841

SCHEMBL9515841

CC1(C)CCC(C)(C)c2cc(SOCc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.64
RXRB P28702 11/20 0.64
RXRG P48443 8/20 0.64
RARB P10826 7/20 0.64
RARG P13631 7/20 0.64
CYP26A1 O43174 3/20 0.54
CYP3A4 P08684 2/20 0.53
CYP26B1 Q9NR63 1/20 0.53
RARA P10276 5/20 0.53
CRABP2 P29373 1/20 0.51

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
SCHEMBL8674121 0.81 RXRA (0.69) RXRARXRBRXRGRARBRARG
SCHEMBL15554765 0.80 RXRA (0.67) RXRARXRBRXRGRARBRARG
SCHEMBL8674842 0.80 RXRA (0.68) RXRARXRBRXRGRARBRARG
SCHEMBL7723487 0.79 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL5078263 0.79 RXRA (0.65) RXRARXRBRXRGRARBRARG
SCHEMBL8676840 0.77 RXRB (0.71) RXRARXRBRXRGRARBRARG
SCHEMBL9208986 0.76 RXRA (0.78) RXRARXRBRXRGRARBRARG
SCHEMBL8839242 0.76 RXRA (0.69) RXRARXRBRXRGRARBRARG
SCHEMBL28949691 0.74 RXRA (0.58) RXRARXRBRXRGRARBRARG
SCHEMBL7789857 0.74 NR1H4 (0.51) RXRARXRBRXRG

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
EP-0386452-B1 DIPHENYL HETEROALKYL DERIVATIVES, THEIR PREPARATION AND MEDICINAL AND COSMETIC PREPARATIONS PREPARED THEREFROM BASF Aktiengesellschaft (DE) 1993-09-22 EP disclosed