SCHEMBL7796527

SCHEMBL7796527

C/C(=C/c1ccccc1)c1ccc2c(c1)C(C)(C)C(C)CC2(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 20/20 0.53
RARB P10826 18/20 0.53
RARA P10276 18/20 0.53
RXRA P19793 8/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
CYP26A1 O43174 1/20 0.53
GMNN O75496 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
NFKB1 P19838 1/20 0.53
CYP2C19 P33261 1/20 0.53
THPO P40225 1/20 0.53
MTOR P42345 1/20 0.53

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
SCHEMBL7796525 1.00 RARG (0.53) RARGRARBRARARXRAKDM4E
SCHEMBL9860648 0.87 RARG (0.53) RARGRARBRARARXRAKDM4E
SCHEMBL9860643 0.87 RARG (0.53) RARGRARBRARARXRAKDM4E
SCHEMBL10453141 0.85 RARG (0.54) RARGRARBRARARXRAKDM4E
SCHEMBL10452143 0.84 RARG (0.50) RARGRARBRARARXRAKDM4E
SCHEMBL10678020 0.84 RARG (0.50) RARGRARBRARARXRAKDM4E
SCHEMBL8776501 0.82 RARG (0.53) RARGRARBRARARXRAKDM4E
SCHEMBL8776500 0.82 RARG (0.53) RARGRARBRARARXRAKDM4E
SCHEMBL10671798 0.81 RARG (0.53) RARGRARBRARARXRAKDM4E
SCHEMBL10453034 0.81 RARG (0.47) RARGRARBRARARXRAKDM4E

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
EP-0781551-B1 Retinoid formulations in porous microspheres for reduced irritation and enhanced stability ENHANCED DERM TECHNOLOGIES INC (US) 2001-11-21 EP disclosed
US-5851538-A Retinoid formulations in porous microspheres for reduced irritation and enhanced stability ADVANCED POLYMER SYSTEMS, INC. (US) 1998-12-22 US disclosed
EP-0781551-A1 Retinoid formulations in porous microspheres for reduced irritation and enhanced stability Advanced Polymer Systems, Inc. (US) 1997-07-02 EP disclosed