Sugi Predict

Sugi Predict / Compounds / SCHEMBL27735232

SCHEMBL27735232

SCHEMBL27735232

CCCc1ccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HSPB1 P04792 2/20 0.46
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ PDE7A Q13946 1/20 0.42
▸ NPBWR1 P48145 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ TBXA2R P21731 3/20 0.41
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40

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
SCHEMBL8141281 0.87 HSPB1 (0.57) CYP1A2CYP2C9CYP2C19HSPB1MEN1
SCHEMBL31457196 0.86 HSPB1 (0.57) CYP1A2CYP2C9CYP2C19HSPB1MEN1
SCHEMBL4780615 0.83 HSPB1 (0.54) CYP1A2CYP2C9CYP2C19HSPB1MEN1
SCHEMBL29519502 0.81 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HSPB1MEN1
SCHEMBL27755872 0.81 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19HSPB1MEN1
SCHEMBL1148931 0.81 HSPB1 (0.51) CYP1A2CYP2C9CYP2C19HSPB1MEN1
SCHEMBL10880653 0.81 HSPB1 (0.51) CYP1A2CYP2C9CYP2C19HSPB1MEN1
SCHEMBL11092359 0.81 PDE7A (0.53) CYP1A2CYP2C9CYP2C19HSPB1MEN1
SCHEMBL27675773 0.80 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19HSPB1MEN1
SCHEMBL9171793 0.80 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19HSPB1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101486660-B Preparation of 2,2-bis[4-(2-trifluoromethyl-4-aminophenoxy)phenyl] propane UNIV DONGHUA 2013-04-17 — — CN claimed
CN-101397254-B Method for preparing 2,2-bis[4-(2-trifluoromethyl-4-nitrophenoxy)phenyl] propane UNIV DONGHUA 2011-11-09 — — CN claimed
CN-101486660-A Preparation of 2,2-bis[4-(2-trifluoromethyl-4-aminophenoxy)phenyl] propane UNIV DONGHUA (CN) 2009-07-22 — — CN claimed
CN-101397254-A Method for preparing 2,2-bis[4-(2-trifluoromethyl-4-nitrophenoxy)phenyl] propane UNIV DONGHUA (CN) 2009-04-01 — — CN claimed
CN-101503359-B Preparation of 2,5-bis(2-trifluoromethyl-4-nitrophenoxy) toluol UNIV DONGHUA 2013-10-09 — — CN disclosed
CN-101486660-B Preparation of 2,2-bis[4-(2-trifluoromethyl-4-aminophenoxy)phenyl] propane UNIV DONGHUA 2013-04-17 — — CN disclosed
CN-101492377-B Process for producing 2,2-di[4-(2-trifluoromethyl-4-nitrophenoxy)phenyl] hexafluoroacetore UNIV DONGHUA 2012-11-07 — — CN disclosed
CN-101397254-B Method for preparing 2,2-bis[4-(2-trifluoromethyl-4-nitrophenoxy)phenyl] propane UNIV DONGHUA 2011-11-09 — — CN disclosed
CN-101397254-B Method for preparing 2,2-bis[4-(2-trifluoromethyl-4-nitrophenoxy)phenyl] propane UNIV DONGHUA 2011-11-09 — — CN disclosed
CN-101503359-A Preparation of 2,5-bis(2-trifluoromethyl-4-nitrophenoxy) toluol UNIV DONGHUA (CN) 2009-08-12 — — CN disclosed
CN-101492377-A Process for producing 2,2-di[4-(2-trifluoromethyl-4-nitrophenoxy)phenyl] hexafluoroacetore UNIV DONGHUA (CN) 2009-07-29 — — CN disclosed
CN-101486660-A Preparation of 2,2-bis[4-(2-trifluoromethyl-4-aminophenoxy)phenyl] propane UNIV DONGHUA (CN) 2009-07-22 — — CN disclosed
CN-101397254-A Method for preparing 2,2-bis[4-(2-trifluoromethyl-4-nitrophenoxy)phenyl] propane UNIV DONGHUA (CN) 2009-04-01 — — CN disclosed
CN-101397254-A Method for preparing 2,2-bis[4-(2-trifluoromethyl-4-nitrophenoxy)phenyl] propane UNIV DONGHUA (CN) 2009-04-01 — — CN disclosed