SCHEMBL8856076

SCHEMBL8856076

CCCCCCCCCCC1(C(=O)Nc2c(C)cc(C)cc2C)Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.46
NR1I2 O75469 1/20 0.41
PYGL P06737 4/20 0.40
POLB P06746 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.39
CXCR5 P32302 1/20 0.39
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.36

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
SCHEMBL8856522 1.00 CETP (0.46) CETPNR1I2PYGLPOLBSMN1; SMN2
SCHEMBL9429728 0.92 CETP (0.44) CETPNR1I2PYGLPOLBSMN1; SMN2
SCHEMBL8856382 0.92 CETP (0.44) CETPNR1I2PYGLPOLBSMN1; SMN2
SCHEMBL8856304 0.82 CETP (0.45) CETPPOLB
SCHEMBL8856271 0.82 CETP (0.45) CETPPOLB
SCHEMBL8856175 0.80 KDM4E (0.50) TSHRTP53ALOX15
SCHEMBL8856305 0.80 KDM4E (0.50) TSHRTP53ALOX15
SCHEMBL8856209 0.77 CETP (0.43) CETPPOLBHTTHPGDCXCR5
SCHEMBL8856449 0.76 CETP (0.43) CETPPOLBLMNA
SCHEMBL8856206 0.76 CETP (0.43) CETPPOLBLMNA

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