SCHEMBL8941887

SCHEMBL8941887

Cc1oc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc1CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
PTGS1 P23219 6/20 0.46
PTGS2 P35354 5/20 0.43
HPGD P15428 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL8941660 0.86 KDM4E (0.44) KDM4EPTGS1PTGS2CA1CA2
SCHEMBL6956224 0.85 HSD17B10 (0.45) KDM4EPTGS1PTGS2PPARG
SCHEMBL6958969 0.81 PTGS1 (0.45) PTGS1PTGS2CA1CA2
SCHEMBL9411891 0.77 KDM4E (0.40) KDM4EPTGS1PTGS2
SCHEMBL893027 0.76 KDM4E (1.00) KDM4EHPGDPPARGPPARDPPARA
SCHEMBL10659312 0.75 PTGS1 (0.40) PTGS1PTGS2CA1CA2PPARG
SCHEMBL6959861 0.75 PTGS1 (0.44) PTGS1PTGS2CA1CA2
SCHEMBL3800800 0.75 KDM4E (0.80) KDM4EHPGDPPARGPPARDPPARA
SCHEMBL11008533 0.72 KDM4E (0.76) KDM4EHPGDPPARGPPARA
SCHEMBL4030027 0.72 KDM4E (0.76) KDM4EHPGDPPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5491159-A INHIBIT OXIDATIVE MODIFICATION OF LOW DENSITY LIPOPROTEINS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-02-13 US claimed
US-5491159-A INHIBIT OXIDATIVE MODIFICATION OF LOW DENSITY LIPOPROTEINS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-02-13 US disclosed