SCHEMBL9808757

SCHEMBL9808757

CC(C)(C)c1ccc(C#Cc2ccc(C(=O)O)cn2)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.69
RARG P13631 1/20 0.69
GRM5 P41594 12/20 0.54
CYP26A1 O43174 1/20 0.49
CYP3A4 P08684 1/20 0.49
SRD5A2 P31213 1/20 0.49
NR4A2 P43354 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL8983698 0.84 GRM5 (0.52) RARBRARGGRM5CYP26A1CYP3A4
SCHEMBL9425762 0.83 RARB (1.00) RARBRARGSRD5A2NR4A2RXRA
SCHEMBL8960507 0.82 RARB (0.55) RARBRARGGRM5CYP3A4EPHX2
SCHEMBL7527125 0.82 GRM5 (0.77) GRM5CYP26A1CYP3A4
SCHEMBL24230073 0.78 GRM5 (0.54) RARBRARGGRM5CYP26A1CYP3A4
SCHEMBL9808768 0.77 GRM5 (0.48) RARBRARGGRM5CYP26A1CYP3A4
SCHEMBL4081970 0.77 P4HA1 (0.47) RARBRARGGRM5CYP26A1CYP3A4
SCHEMBL16673635 0.76 P4HA1 (0.46) RARBRARGGRM5CYP26A1CYP3A4
SCHEMBL565225 0.75 P4HA1 (0.52) GRM5CYP26A1CYP3A4
SCHEMBL24230047 0.75 GRM5 (0.54) RARBRARGGRM5CYP26A1CYP3A4

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-5013744-A Skin disorders ALLERGAN, INC. (US) 1991-05-07 US disclosed