SCHEMBL7973303

SCHEMBL7973303

C=CC(C)Oc1ccc(Br)cc1CN(CC)c1ccc(C(=O)O)cn1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.43
RXRA P19793 17/20 0.43
PPARG P37231 1/20 0.40
GBA1 P04062 1/20 0.38

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
SCHEMBL7974626 0.85 HCAR3 (0.46) HCAR3RXRAPPARGGBA1
SCHEMBL7673319 0.84 RXRA (0.56) HCAR3RXRAPPARG
SCHEMBL7979349 0.84 HCAR3 (0.44) HCAR3RXRAPPARGGBA1
SCHEMBL7672615 0.82 HCAR3 (0.51) HCAR3RXRAPPARGGBA1
SCHEMBL7810643 0.82 RXRA (0.53) HCAR3RXRAPPARGGBA1
SCHEMBL7810595 0.81 HCAR3 (0.45) HCAR3RXRAPPARGGBA1
SCHEMBL7974544 0.81 HCAR3 (0.45) HCAR3RXRAPPARGGBA1
SCHEMBL7976850 0.81 RXRA (0.54) HCAR3RXRAPPARGGBA1
SCHEMBL7963014 0.81 HCAR3 (0.45) HCAR3RXRAPPARGGBA1
SCHEMBL7963017 0.81 HCAR3 (0.45) HCAR3RXRAPPARGGBA1

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