SCHEMBL9561682

SCHEMBL9561682

COCc1ccc(C(COCc2cccc(Oc3ccc(Cl)cc3)c2)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.40
ALDH1A1 P00352 3/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FDFT1 P37268 1/20 0.35
FFAR1 O14842 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
TACR1 P25103 2/20 0.34
KMT2A Q03164 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL9560936 0.92 KDM4E (0.43) CETPALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL9560890 0.92 CETP (0.44) CETPALDH1A1PPARGPPARALMNA
SCHEMBL9560487 0.90 PPARG (0.47) CETPALDH1A1PPARGPPARALMNA
SCHEMBL9570809 0.88 CETP (0.42) CETPALDH1A1PPARGPPARALMNA
SCHEMBL118655 0.87 FFAR1 (0.44) CETPALDH1A1PPARGPPARALMNA
SCHEMBL29370536 0.87 FFAR1 (0.44) CETPALDH1A1PPARGPPARALMNA
SCHEMBL9862593 0.87 FFAR1 (0.44) CETPALDH1A1PPARGPPARALMNA
SCHEMBL9570598 0.87 CETP (0.41) CETPALDH1A1PPARGPPARALMNA
SCHEMBL9560416 0.87 CETP (0.43) CETPALDH1A1PPARGPPARALMNA
SCHEMBL9560931 0.87 CETP (0.41) CETPALDH1A1PPARGPPARALMNA

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-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed