SCHEMBL7669934

SCHEMBL7669934

CSc1ccc(OCC2CC2)c(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.37
VEGFA P15692 1/20 0.37
P2RX3 P56373 1/20 0.36
HPGD P15428 1/20 0.36
GCK P35557 1/20 0.36
PDE4A P27815 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
RIPK1 Q13546 1/20 0.35
AR P10275 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KMO O15229 1/20 0.34

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
SCHEMBL30902367 0.78 MEN1 (0.49) HPGDALDH1A1
SCHEMBL17061451 0.78 PTGDR2 (0.57) PDE4BHPGDALDH1A1PTGDR2
SCHEMBL29964746 0.78 PTGDR2 (0.57) PDE4BHPGDALDH1A1PTGDR2
SCHEMBL18783932 0.78 MEN1 (0.49) HPGDALDH1A1
SCHEMBL19931095 0.78 RIPK1 (0.38) PDE4BVEGFAP2RX3HPGDPDE4A
SCHEMBL24218246 0.76 P2RX3 (0.34) PDE4BVEGFAP2RX3HPGDGCK
SCHEMBL9825309 0.75 GCK (0.39) HPGDGCKALDH1A1PTGDR2
SCHEMBL30902361 0.75 SLC6A2 (0.45) PDE4BPTGDR2
SCHEMBL7668992 0.75 NOS3 (0.48) P2RX3RIPK1AR
SCHEMBL7089541 0.75 ALDH1A1 (0.52) HPGDALDH1A1

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 5 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
EP-0835246-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-04-15 EP disclosed
WO-1997000863-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1997-01-09 WO disclosed