SCHEMBL7957428

SCHEMBL7957428

COc1cccc(C(O)C2CCCCC2=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.40
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.36
POLL Q9UGP5 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
DRD1 P21728 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.36
ADRA1B P35368 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
SCHEMBL7960098 0.89 MAPT (0.47) ALDH1A1USP2LMNAPOLBMAPT
SCHEMBL7959988 0.74 MAPT (0.52) ALDH1A1USP2LMNAPOLBMAPT
SCHEMBL7959844 0.74 MAPK1 (0.45) ALDH1A1USP2LMNAPOLBMAPT
SCHEMBL10897470 0.74 TACR1 (0.41) ALDH1A1CHRM3CA1MEN1KMT2A
SCHEMBL6678097 0.74 ALDH1A1 (0.44) ALDH1A1USP2LMNAPOLBMAPT
SCHEMBL8056693 0.73 MAPT (0.56) ALDH1A1POLBMAPTMAPK1CA1
SCHEMBL8065500 0.73 MAPT (0.56) ALDH1A1POLBMAPTMAPK1CA1
SCHEMBL13254537 0.72 CA1 (0.51) ALDH1A1LMNAPOLBMAPTCA1
SCHEMBL3486328 0.72 CA1 (0.51) ALDH1A1LMNAPOLBMAPTCA1
SCHEMBL7483180 0.72 MAPT (0.55) ALDH1A1POLBMAPTMAPK1CA1

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-6245790-B1 ANTIINFLAMMATORY AGENTS; GASTROINTESTINAL DISORDERS; SKN DISORDERS; BONE DISORDERS; MUSCLE RELAXANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-12 US disclosed
EP-0989975-A1 OXAZOLE COMPOUNDS USEFUL AS PGE2 AGONISTS AND ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 EP disclosed
WO-2000016760-A2 NEW USE OF PROSTAGLANDIN E2 ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-30 WO disclosed
WO-1998055468-A1 OXAZOLE COMPOUNDS USEFUL AS PGE2 AGONISTS AND ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-10 WO disclosed