SCHEMBL7225152

SCHEMBL7225152

C/C(=C\c1ccc(C(=O)O)cc1)c1cc2c(cc1Br)C(C)(C)CCC2(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 16/20 1.00
RARG P13631 16/20 1.00
RXRA P19793 14/20 1.00
RARA P10276 13/20 1.00
RXRB P28702 4/20 0.77
RXRG P48443 4/20 0.77
KDM4E B2RXH2 1/20 0.69
NPC1 O15118 1/20 0.69
CYP26A1 O43174 1/20 0.69
GMNN O75496 1/20 0.69
USP2 O75604 1/20 0.69
ALDH1A1 P00352 1/20 0.69
LMNA P02545 1/20 0.69
TP53 P04637 1/20 0.69
CYP1A2 P05177 1/20 0.69
POLB P06746 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
NFKB1 P19838 1/20 0.69
CYP2C19 P33261 1/20 0.69

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
SCHEMBL7225160 1.00 RARB (1.00) RARBRARGRXRARARARXRB
SCHEMBL3301839 0.87 RARB (1.00) RARBRARGRXRARARARXRB
SCHEMBL3301842 0.87 RARB (1.00) RARBRARGRXRARARARXRB
SCHEMBL5084708 0.87 RARB (1.00) RARBRARGRXRARARARXRB
SCHEMBL7223850 0.85 RARB (1.00) RARBRARGRXRARARARXRB
SCHEMBL7223854 0.85 RARB (1.00) RARBRARGRXRARARARXRB
SCHEMBL9007264 0.84 RARB (1.00) RARBRARGRXRARARARXRB
SCHEMBL9007272 0.84 RARB (1.00) RARBRARGRXRARARARXRB
SCHEMBL9007266 0.84 RARB (1.00) RARBRARGRXRARARARXRB
SCHEMBL7217466 0.84 RARB (0.72) RARBRARGRXRARARARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624188-B1 Administered to treat or prevent one or more of the diseases and conditions selected from the group consisting of dermatoses, atherosclerosis and restenosis resulting from neointimal hyperproliferation, non-malignant and ALLERGAN, INC. 2003-09-23 US disclosed
US-5324840-A Skin disorders ALLERGAN, INC. (US) 1994-06-28 US disclosed