SCHEMBL7963005

SCHEMBL7963005

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.44
RXRA P19793 13/20 0.39
CCR5 P51681 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
GBA1 P04062 1/20 0.38
PPARG P37231 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37

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
SCHEMBL7963047 1.00 HCAR3 (0.44) HCAR3RXRACCR5PTGDR2GBA1
SCHEMBL7963001 1.00 HCAR3 (0.44) HCAR3RXRACCR5PTGDR2GBA1
SCHEMBL7810595 0.89 HCAR3 (0.45) HCAR3RXRAPTGDR2GBA1PPARG
SCHEMBL7974544 0.87 HCAR3 (0.45) HCAR3RXRAPTGDR2GBA1PPARG
SCHEMBL7974541 0.87 HCAR3 (0.45) HCAR3RXRAPTGDR2GBA1PPARG
SCHEMBL7810643 0.86 RXRA (0.53) HCAR3RXRAPTGDR2GBA1PPARG
SCHEMBL7976850 0.85 RXRA (0.54) HCAR3RXRAPTGDR2GBA1PPARG
SCHEMBL8703967 0.85 CCR5 (0.48) HCAR3RXRACCR5RXRB
SCHEMBL7672615 0.85 HCAR3 (0.51) HCAR3RXRAGBA1PPARG
SCHEMBL7974626 0.84 HCAR3 (0.46) HCAR3RXRAGBA1PPARG

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