SCHEMBL24935608

SCHEMBL24935608

CC(=O)COCC(F)CCOc1ccc(C)c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARD Q03181 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
CYP2C9 P11712 2/20 0.35
HPGD P15428 2/20 0.35
CDK8 P49336 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 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
SCHEMBL24935232 0.85 PPARD (0.38) PPARDCYP1A2CYP2C19ATMCYP2C9
SCHEMBL24935357 0.83 HDAC1 (0.44) PPARGPPARAPTGESALOX5PPARD
SCHEMBL24935554 0.80 MEN1 (0.46) PPARGPPARAPTGESALOX5ATM
SCHEMBL25063890 0.77 PPARG (0.38) PPARGPPARAPTGESALOX5PPARD
SCHEMBL24935009 0.77 PPARD (0.37) PPARDCYP1A2CYP2C19THRATHRB
SCHEMBL24935779 0.72 AR (0.36) PPARGPPARAPPARDCYP1A2CYP2C19
SCHEMBL5543083 0.72 MCL1 (0.56) PPARAPPARDHPGDKDM4EALDH1A1
SCHEMBL24935659 0.71 MRGPRX4 (0.44) ALDH1A1L3MBTL1TSHRMAPTHTT
SCHEMBL18644413 0.70 CYP17A1 (0.36) PPARDCYP2C19CYP2C9CDK8RHEB
SCHEMBL12778374 0.70 PDK2 (0.43) PPARGPPARAPTGESALOX5PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4119546-A1 BIFUNCTIONAL COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Suzhou Kintor Pharmaceuticals, Inc. (CN) 2023-01-18 EP disclosed