SCHEMBL13722840

SCHEMBL13722840

CCCCCCc1ccc(-c2cc(CC(=O)OC)c(-c3ccc(CCCCCC)s3)cc2COOC)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RPS6KB2 Q9UBS0 1/20 0.36
ACACA Q13085 1/20 0.36
ICMT O60725 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK5 Q00535 1/20 0.31
FPR1 P21462 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
PPARA Q07869 2/20 0.31

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
SCHEMBL13723385 0.98 HPGD (0.38) HPGDALDH1A1MEN1KMT2ARPS6KB2
SCHEMBL13723211 0.95 HPGD (0.36) HPGDALDH1A1MEN1KMT2ARPS6KB2
SCHEMBL13722754 0.86 RARB (0.39) ALDH1A1MEN1KMT2AICMT
SCHEMBL12736289 0.78 HSP90AB1 (0.34) HPGDALDH1A1KMT2AACACAKDM4E
SCHEMBL12712157 0.74 HPGD (0.35) HPGDALDH1A1MEN1KMT2ARPS6KB2
SCHEMBL1611038 0.73 HPGD (0.44) HPGDALDH1A1RPS6KB2KDM4EPOLB
SCHEMBL12712180 0.73 HPGD (0.34) HPGDALDH1A1MEN1KMT2ARPS6KB2
SCHEMBL12736291 0.72 NPC1 (0.39) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL13723053 0.72 ACACA (0.40) HPGDALDH1A1MEN1KMT2AACACA
SCHEMBL1610392 0.69 KAT8 (0.47) ALDH1A1MEN1KMT2APOLBTDP1

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
WO-2009099070-A1 ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-13 WO disclosed