SCHEMBL8856096

SCHEMBL8856096

CCCCCCCC(CCCCCCC)C(=O)Nc1c(OC)ccc2ncccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC3 O15379 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL8856877 0.86 TRPV1 (0.38) TRPV1TSHRKDM4EHSD17B10MEN1
SCHEMBL8856602 0.83 TRPV1 (0.42) TRPV1HDAC8HDAC3HDAC6HDAC1
SCHEMBL8856203 0.82 PTPRE (0.38) TRPV1TSHRKDM4EHSD17B10ALDH1A1
SCHEMBL8856268 0.79 TRPV1 (0.39) TRPV1TP53POLBTSHRKDM4E
SCHEMBL8856302 0.79 KMT2A (0.38) TRPV1POLBMEN1KMT2AALDH1A1
SCHEMBL8856432 0.78 CNR1 (0.52) TRPV1TP53MEN1KMT2AHPGD
SCHEMBL8856435 0.78 CNR1 (0.52) TRPV1TP53MEN1KMT2AHPGD
SCHEMBL8856308 0.78 ALOX5 (0.40) TRPV1POLBMEN1KMT2A
SCHEMBL8344629 0.77 TRPV1 (0.40) TRPV1KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL8343237 0.76 TRPV1 (0.39) TRPV1KDM4EKMT2AMAPTL3MBTL1

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 3 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
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