SCHEMBL27442005

SCHEMBL27442005

CC1(C)CC=C(C(F)(F)F)c2cc(C#Cc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RARB P10826 19/20 0.70
RARG P13631 19/20 0.70
RARA P10276 18/20 0.70
CYP26A1 O43174 1/20 0.55
CYP3A4 P08684 1/20 0.55
CRABP2 P29373 1/20 0.55

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
SCHEMBL7637413 0.89 RARB (0.70) RARBRARGRARACYP26A1CYP3A4
SCHEMBL27462053 0.85 RARA (0.53) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7642416 0.83 RARB (0.71) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6236990 0.83 RARB (1.00) RARBRARGRARA
SCHEMBL7800461 0.81 RARB (0.61) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7640517 0.80 RARB (0.67) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7806999 0.80 RARA (0.78) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7157957 0.80 RARB (0.72) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7637372 0.80 RARA (0.61) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8901265 0.80 RARB (0.63) RARBRARGRARACYP26A1CYP3A4

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 3 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-1209802-A Synthesis and use of retinoid having negative hormone and/or antagonist activity ALLERGAN CO (US) 1999-03-03 CN disclosed