SCHEMBL7976850

SCHEMBL7976850

CCN(Cc1cc(Br)ccc1OCC=C(C)C)c1ccc(C(=O)O)cn1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.54
HCAR3 P49019 2/20 0.45
GBA1 P04062 1/20 0.39
PPARG P37231 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
EGLN1 Q9GZT9 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
SCHEMBL7973276 0.90 RXRA (0.44) RXRAHCAR3GBA1PPARG
SCHEMBL7974626 0.89 HCAR3 (0.46) RXRAHCAR3GBA1PPARG
SCHEMBL7974541 0.88 HCAR3 (0.45) RXRAHCAR3GBA1PPARGPTGDR2
SCHEMBL7963017 0.88 HCAR3 (0.45) RXRAHCAR3GBA1PPARGRXRB
SCHEMBL7974544 0.88 HCAR3 (0.45) RXRAHCAR3GBA1PPARGPTGDR2
SCHEMBL7963014 0.88 HCAR3 (0.45) RXRAHCAR3GBA1PPARGRXRB
SCHEMBL7810643 0.87 RXRA (0.53) RXRAHCAR3GBA1PPARGPTGDR2
SCHEMBL7672615 0.86 HCAR3 (0.51) RXRAHCAR3GBA1PPARG
SCHEMBL7963047 0.85 HCAR3 (0.44) RXRAHCAR3GBA1PPARGPTGDR2
SCHEMBL7963001 0.85 HCAR3 (0.44) RXRAHCAR3GBA1PPARGPTGDR2

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