SCHEMBL8856271

SCHEMBL8856271

CCCCCCCCCCC1(C(=O)Nc2c(F)cc(F)cc2F)Cc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.45
PLK1 P53350 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NAMPT P43490 3/20 0.36
SOAT1 P35610 1/20 0.35
PKM P14618 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35

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
SCHEMBL8856304 1.00 CETP (0.45) CETPPLK1PLK3POLBALDH1A1
SCHEMBL8856449 0.92 CETP (0.43) CETPPLK1PLK3POLBALDH1A1
SCHEMBL8856206 0.92 CETP (0.43) CETPPLK1PLK3POLBALDH1A1
SCHEMBL8856522 0.82 CETP (0.46) CETPPOLB
SCHEMBL8856076 0.82 CETP (0.46) CETPPOLB
SCHEMBL8856175 0.79 KDM4E (0.50) MAPTSOAT1
SCHEMBL8856305 0.79 KDM4E (0.50) MAPTSOAT1
SCHEMBL8856209 0.76 CETP (0.43) CETPPOLBALDH1A1NAMPT
SCHEMBL9429728 0.76 CETP (0.44) CETPPOLBMAPT
SCHEMBL8856382 0.76 CETP (0.44) CETPPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656634-A N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1997-08-12 US disclosed
US-5362878-A Intermediates for making N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1994-11-08 US disclosed
WO-1991004027-A1 NEW N-ARYL AND N-HETEROARYLAMIDE AND UREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A: CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1991-04-04 WO disclosed
EP-0418071-A2 New N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase PFIZER INC. (US) 1991-03-20 EP disclosed