SCHEMBL7187594

SCHEMBL7187594

CC(C)(O)Oc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 7/20 0.59
▸ CYP1A2 P05177 5/20 0.59
▸ CYP3A4 P08684 5/20 0.59
▸ CYP2C19 P33261 4/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ MAPT P10636 3/20 0.59
▸ CYP2D6 P10635 2/20 0.59
▸ PPARG P37231 3/20 0.50
▸ TSHR P16473 3/20 0.50
▸ ABCB11 O95342 2/20 0.50
▸ HTR2A P28223 2/20 0.50
▸ PMP22 Q01453 2/20 0.50
▸ FABP2 P12104 1/20 0.50
▸ SLC22A12 Q96S37 1/20 0.50
▸ CYP2C9 P11712 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ LMNA P02545 2/20 0.44

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
SCHEMBL196705 0.80 PPARA (0.57) PPARACYP1A2CYP3A4CYP2C19MEN1
SCHEMBL9385278 0.78 FFAR1 (0.50) CYP1A2CYP2C19MEN1KMT2AMAPT
SCHEMBL4011781 0.78 PPARA (0.55) PPARACYP1A2CYP3A4CYP2C19MEN1
SCHEMBL12655378 0.78 PPARA (0.55) PPARACYP1A2CYP3A4CYP2C19MEN1
SCHEMBL4820655 0.78 PPARA (0.55) PPARACYP1A2CYP3A4CYP2C19MEN1
SCHEMBL28557929 0.77 PPARA (0.50) PPARACYP1A2CYP3A4CYP2C19MEN1
SCHEMBL28993179 0.77 PPARA (0.50) PPARACYP1A2CYP3A4CYP2C19MEN1
SCHEMBL77569 0.76 MEN1 (0.41) PPARACYP1A2CYP3A4CYP2C19MEN1
SCHEMBL9425979 0.76 ESR1 (0.48) PPARACYP1A2CYP3A4CYP2C19MEN1
SCHEMBL987495 0.76 PPARA (0.53) PPARACYP1A2CYP3A4CYP2C19MEN1

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
EP-1432308-A1 BIODEGRADABLE SOLID PREPARATION OF A PHYTOPATHOLOGICAL AGENT WITH DELAYED ACTIVE-SUBSTANCE RELEASE BASF AKTIENGESELLSCHAFT (DE) 2004-06-30 — — EP disclosed
WO-2003028453-A1 BIODEGRADABLE SOLID PREPARATION OF A PHYTOPATHOLOGICAL AGENT WITH DELAYED ACTIVE-SUBSTANCE RELEASE BASF AKTIENGESELLSCHAFT (DE) 2003-04-10 — — WO disclosed
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