SCHEMBL9504171

SCHEMBL9504171

[Li]c1c(NC(=O)CCCCCCCCCCCCCCCC)cccc1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.58
SOAT1 P35610 2/20 0.53
EP300 Q09472 1/20 0.49
HDAC3 O15379 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 2/20 0.48
NCOR2 Q9Y618 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
TSHR P16473 2/20 0.45
P2RX7 Q99572 1/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL30738545 0.83 CETP (0.53) CETPSOAT1EP300HDAC3HDAC1
SCHEMBL5010196 0.82 CETP (0.63) CETPSOAT1TSHRKMT2AALDH1A1
SCHEMBL30102565 0.80 CETP (0.54) CETPSOAT1EP300TSHRKMT2A
SCHEMBL28926989 0.80 CETP (0.57) CETPSOAT1TSHRKMT2AALDH1A1
SCHEMBL30091845 0.80 CETP (0.52) CETPSOAT1EP300HDAC3HDAC1
SCHEMBL14282873 0.78 CETP (0.53) CETPSOAT1EP300HDAC3HDAC1
SCHEMBL9395051 0.78 CETP (0.77) CETPSOAT1EP300HDAC3HDAC1
SCHEMBL5878480 0.78 CETP (0.77) CETPSOAT1EP300HDAC3HDAC1
SCHEMBL9501914 0.77 KMT2A (0.57) CETPSOAT1EP300HDAC3HDAC1
SCHEMBL24074514 0.76 CETP (0.65) CETPSOAT1EP300HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543865-A1 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed