SCHEMBL7973276

SCHEMBL7973276

CCN(Cc1cc(Br)ccc1OCCC=C(C)C)c1ccc(C(=O)O)cn1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.44
HCAR3 P49019 2/20 0.43
GBA1 P04062 1/20 0.38
PPARG P37231 1/20 0.36
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
RARA P10276 1/20 0.36
MAPT P10636 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
SCHEMBL7976850 0.90 RXRA (0.54) RXRAHCAR3GBA1PPARG
SCHEMBL7979349 0.90 HCAR3 (0.44) RXRAHCAR3GBA1PPARGRARB
SCHEMBL7672615 0.88 HCAR3 (0.51) RXRAHCAR3GBA1PPARGRARB
SCHEMBL7974544 0.85 HCAR3 (0.45) RXRAHCAR3GBA1PPARG
SCHEMBL7974541 0.85 HCAR3 (0.45) RXRAHCAR3GBA1PPARG
SCHEMBL7974626 0.83 HCAR3 (0.46) RXRAHCAR3GBA1PPARGMAPT
SCHEMBL7810643 0.83 RXRA (0.53) RXRAHCAR3GBA1PPARG
SCHEMBL7963014 0.83 HCAR3 (0.45) RXRAHCAR3GBA1PPARG
SCHEMBL7963017 0.83 HCAR3 (0.45) RXRAHCAR3GBA1PPARG
SCHEMBL8703967 0.82 CCR5 (0.48) RXRAHCAR3

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-6313148-B1 FOR THERAPY OF PAIN PAIN ASSOCIATED WITH JOINT CONDITIONS SUCH AS RHEUMATOID ARTHRITIS AND OSTEOARTHRITIS, POSTOPERATIVE PAIN, POST-PARTUM PAIN, THE PAIN ASSOCIATED WITH DENTAL CONDITIONS SUCH AS DENTAL CARIES AND GINGIVITIS ZENECA LIMITED (GB) 2001-11-06 US claimed