SCHEMBL8856302

SCHEMBL8856302

CCCCCCCCC(CCCCCC)C(=S)Nc1c(OCC)ccc2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
CACNA2D1 P54289 6/20 0.34
SYK P43405 1/20 0.34
TLR8 Q9NR97 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 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
SCHEMBL8856361 0.85 TRPV1 (0.37) KMT2AMEN1TRPV1ALDH1A1SMN1; SMN2
SCHEMBL8856354 0.85 TRPV1 (0.37) POLBTRPV1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8856712 0.85 TLR8 (0.39) KMT2AMEN1TRPV1ALDH1A1SMN1; SMN2
SCHEMBL8856179 0.83 TRPV1 (0.36) TRPV1ALDH1A1SMN1; SMN2L3MBTL1HTT
SCHEMBL8856274 0.81 KMT2A (0.46) KMT2AMEN1TRPV1ALDH1A1SMN1; SMN2
SCHEMBL8856352 0.81 TRPV1 (0.35) TRPV1ALDH1A1SMN1; SMN2L3MBTL1HTT
SCHEMBL8856096 0.79 TRPV1 (0.42) KMT2APOLBMEN1TRPV1ALDH1A1
SCHEMBL8856091 0.79 ALDH1A1 (0.33) TRPV1ALDH1A1SMN1; SMN2L3MBTL1HTT
SCHEMBL8856308 0.78 ALOX5 (0.40) KMT2APOLBMEN1TRPV1PTGES
SCHEMBL8856078 0.78 ALDH1A1 (0.36) TRPV1ALDH1A1SMN1; SMN2L3MBTL1HTT

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