SCHEMBL8201865

SCHEMBL8201865

CC(C)(C)OC(=O)CCc1cccc2c(O)cccc12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.43
NQO2 P16083 1/20 0.41
CDYL Q9Y232 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
KDM4E B2RXH2 1/20 0.38
PARP1 P09874 1/20 0.38
CDK2 P24941 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL2821947 0.84 CYP4F2 (0.47) IAPPCYP4F2CYP4A11
SCHEMBL34471197 0.84 CDYL (0.40) NQO2CDYLCYP4F2CYP4A11KDM4E
SCHEMBL7286194 0.84 CDYL (0.56) NQO2CDYLCYP4F2CYP4A11KDM4E
SCHEMBL9047813 0.84 IAPP (0.44) IAPPNQO2CYP4F2CYP4A11
SCHEMBL6209967 0.81 CYP4F2 (0.53) CDYLCYP4F2CYP4A11KDM4E
SCHEMBL8207124 0.78 KDM4E (0.42) NQO2KDM4EMAPT
SCHEMBL19511554 0.77 CYP4F2 (0.51) IAPPCYP4F2CYP4A11KDM4E
SCHEMBL15277275 0.77 IAPP (0.47) IAPPCDYLPARP1CDK2
SCHEMBL28159099 0.77 CYP4F2 (0.40) IAPPNQO2CYP4F2CYP4A11
SCHEMBL31626554 0.77 IAPP (0.43) IAPPNQO2CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013673-A ADMINISTERING AN EFFECTIVE AMOUNT OF A NAPHTHYLOXYACETIC ACID DERIVATIVE OR NONTOXIC ACID ADDITION SALT OR HYDRATE TO TREAT OR PREVENT ABORTION, PAINE, DIARRHEA, CATHARTICS, ULCER, GASTRITIS, HYPERTENSION AND THROMBOSIS ONO PHARMACEUTICAL CO., LTD. (JP) 2000-01-11 US disclosed
US-5753700-A ANALGESICS; CARDIOVASCULAR DISORDERS; ANTIULCER AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
EP-0719760-A1 Naphthyloxyacetic acid derivatives and their use as PGW2 agonists and antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed