SCHEMBL30100529

SCHEMBL30100529

NC(=O)c1cccc(C2CCCCCC2)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
PARP1 P09874 8/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
ESR2 Q92731 1/20 0.43
TP53 P04637 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2B6 P20813 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
PTPN5 P54829 3/20 0.41
PTPN2 P17706 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
CDC7 O00311 1/20 0.40

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
SCHEMBL4690983 0.93 KDM4E (0.49) KDM4EMAPTMEN1KMT2APARP1
SCHEMBL10780981 0.86 KDM4E (0.44) KDM4EMAPTMEN1KMT2APARP1
SCHEMBL307050 0.86 KDM4E (0.53) KDM4EMAPTMEN1KMT2APARP1
SCHEMBL290155 0.86 KDM4E (0.45) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL31270723 0.85 KDM4E (0.53) KDM4EMAPTMEN1KMT2APARP1
SCHEMBL1004217 0.85 MEN1 (0.49) KDM4EMAPTMEN1KMT2APARP1
SCHEMBL18222674 0.85 KDM4E (0.53) KDM4EMAPTMEN1KMT2APARP1
SCHEMBL300805 0.84 ACMSD (0.50) KDM4EMAPTMEN1KMT2APTGDR2
SCHEMBL9403931 0.84 ACMSD (0.50) KDM4EMAPTMEN1KMT2APTGDR2
SCHEMBL31011018 0.84 ACMSD (0.50) KDM4EMAPTMEN1KMT2APTGDR2

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-4093401-A1 SALICYLAMIDE DERIVATIVES AND RELATED METHODS OF MAKING The Board of Regents of the University of Texas System (US) 2022-11-30 EP disclosed