SCHEMBL7547124

SCHEMBL7547124

Cc1cc(=O)n(-c2cc(C(=O)OC(C)(C)C(=O)O)c(Cl)cc2F)c(=O)n1C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
BAZ2B Q9UIF8 1/20 0.31
BAZ2A Q9UIF9 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
PPARD Q03181 4/20 0.31
PPARA Q07869 4/20 0.31
GAA P10253 1/20 0.30
PPARG P37231 2/20 0.30

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
SCHEMBL6553915 0.90 CYP1A2 (0.32) CYP1A2MAPTCYP2C9KMT2ABAZ2B
SCHEMBL9350650 0.90 GAA (0.33) CYP1A2MAPTCYP2C9KMT2ABAZ2B
SCHEMBL9351415 0.88 BAZ2B (0.33) CYP1A2MAPTCYP2C9KMT2ABAZ2B
SCHEMBL6553643 0.88 BAZ2B (0.38) CYP1A2MAPTCYP2C9KMT2ABAZ2B
SCHEMBL2965779 0.88 PPARD (0.33) POLBAPEX1PPARDPPARAPPARG
SCHEMBL31581569 0.88 PPARD (0.32) POLBAPEX1PPARDPPARAPPARG
SCHEMBL25361650 0.87 PPARD (0.31) PPARDPPARAPPARG
SCHEMBL25243907 0.85 POLB (0.32) MAPTPOLBAPEX1PPARDPPARA
SCHEMBL22745804 0.85 MAPT (0.36) CYP1A2MAPTCYP2C9KMT2ABAZ2B
SCHEMBL9350427 0.83 NOTUM (0.40) CYP1A2MAPTCYP2C9KMT2APOLB

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
EP-0436680-B1 HETEROCYCLIC COMPOUNDS CIBA GEIGY AG (CH) 1994-09-07 EP claimed
EP-1206185-A1 COMBINATIONS CONSISTING OF HERBICIDES AND SAFENERS Aventis CropScience GmbH (DE) 2002-05-22 EP disclosed
WO-2001008487-A1 COMBINATIONS CONSISTING OF HERBICIDES AND SAFENERS AVENTIS CROPSCIENCE GMBH (DE) 2001-02-08 WO disclosed