SCHEMBL7670592

SCHEMBL7670592

CCN(Cc1cc(Br)ccc1OCC(C)C)c1ccc(C(=O)O)nn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
HIF1A Q16665 1/20 0.43
PTGER1 P34995 8/20 0.41
RXRA P19793 3/20 0.41
PPARG P37231 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
XDH P47989 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 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
SCHEMBL7666612 0.88 PTGER1 (0.38) PTGER1MEN1KMT2ACYP1A2PTGDR2
SCHEMBL7662746 0.88 PTGER1 (0.55) ALDH1A1HIF1APTGER1RXRA
SCHEMBL7662551 0.88 HPGD (0.42) PTGER1MEN1KMT2ACYP1A2PTGDR2
SCHEMBL7666905 0.87 LMNA (0.43) ALDH1A1PTGER1RXRAMEN1KMT2A
SCHEMBL7666981 0.86 ALDH1A1 (0.39) ALDH1A1HIF1APTGER1RXRAPPARG
SCHEMBL4868816 0.85 PTGER1 (0.54) PTGER1CYP1A2
SCHEMBL1901395 0.85 PTGDR2 (0.40) ALDH1A1PTGER1RXRAMEN1KMT2A
SCHEMBL8063285 0.85 MEN1 (0.43) ALDH1A1PTGER1MEN1KMT2ACYP1A2
SCHEMBL8067463 0.84 PTGER1 (0.38) PTGER1MEN1KMT2ACYP1A2PTGDR2
SCHEMBL8067458 0.84 PTGER1 (0.38) PTGER1MEN1KMT2ACYP1A2PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365603-B1 FOR THERAPY OF PAIN SUCH AS THE PAIN ASSOCIATED WITH JOINT CONDITIONS SUCH AS RHEUMATOID ARTHRITIS AND OSTEOARTHRITIS, POSTOPERATIVE PAIN, POSTPARTUM PAIN, THE PAIN ASSOCIATED WITH DENTAL CONDITIONS SUCH AS DENTAL CARIES AND GINGIVITIS, ETC. ZENECA LTD. (GB) 2002-04-02 US disclosed
EP-0835246-B1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2001-10-24 EP disclosed
US-5994353-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 1999-11-30 US disclosed
WO-1997000863-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1997-01-09 WO disclosed