SCHEMBL8641850

SCHEMBL8641850

CC(C)C1CCC(C)(C)c2ccc(-c3ccccc3C(=O)O)cc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.49
RARG P13631 7/20 0.49
RXRA P19793 2/20 0.49
RARA P10276 7/20 0.39
LTB4R2 Q9NPC1 3/20 0.39
LTB4R Q15722 1/20 0.39
IDO1 P14902 3/20 0.38
KDM4C Q9H3R0 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AGTR1 P30556 1/20 0.37
P2RX7 Q99572 1/20 0.36

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
SCHEMBL6294271 0.78 RXRA (0.49) RARBRARGRXRARARA
SCHEMBL6292438 0.73 RXRA (0.40) RARBRARGRXRARARA
SCHEMBL7902107 0.72 RARG (0.63) RARBRARGRXRARARA
SCHEMBL6292968 0.71 RARB (0.62) RARBRARGRXRARARA
SCHEMBL10756175 0.70 HTR7 (0.35) IDO1
SCHEMBL7158656 0.70 RXRA (0.48) RARBRARGRXRARARA
SCHEMBL6292476 0.69 OPRM1 (0.36)
SCHEMBL7265393 0.69 RARG (0.63) RARBRARGRXRARARA
SCHEMBL12620654 0.69 RARB (0.38) RARBRARGRXRARARA
SCHEMBL9551739 0.65 RARB (0.69) RARBRARGRXRARARA

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-5723666-A USEFUL AS REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION ALLERGAN (US) 1998-03-03 US disclosed