SCHEMBL27445327

SCHEMBL27445327

CC1(C)CC=C(c2ccc(CN)cc2)c2cc(/C=C/c3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARA P10276 17/20 0.77
RARB P10826 16/20 0.77
RARG P13631 14/20 0.77
RXRA P19793 1/20 0.77
NR2E1 Q9Y466 1/20 0.77

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
SCHEMBL27445329 1.00 RARA (0.77) RARARARBRARGRXRANR2E1
SCHEMBL27445326 0.89 RARB (0.64) RARARARBRARGRXRANR2E1
SCHEMBL6238262 0.87 RARB (0.83) RARARARBRARGRXRANR2E1
SCHEMBL6238257 0.87 RARB (0.83) RARARARBRARGRXRANR2E1
SCHEMBL6755036 0.87 RARA (1.00) RARARARBRARGRXRANR2E1
SCHEMBL6755033 0.87 RARA (1.00) RARARARBRARGRXRANR2E1
SCHEMBL29613352 0.87 RARA (1.00) RARARARBRARGRXRANR2E1
SCHEMBL7628672 0.86 RARA (0.81) RARARARBRARGRXRANR2E1
SCHEMBL27509813 0.85 RARB (0.56) RARARARBRARGRXRANR2E1
SCHEMBL27444222 0.84 RARB (0.83) RARARARBRARGRXRANR2E1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1142928-C Synthesis and use of retinoid compounds having negative hormone and/or antagonist activity �ո��� 2004-03-24 CN disclosed
CN-1121379-C Synthesis and use of retinoid having negative hormone and/or antagonist activity ALLERGAN CO (US) 2003-09-17 CN disclosed
CN-1360890-A Use of active retiene derivative with negative hormone and/or antagonist ALLERGAN INC (US) 2002-07-31 CN disclosed
CN-1209802-A Synthesis and use of retinoid having negative hormone and/or antagonist activity ALLERGAN CO (US) 1999-03-03 CN disclosed