SCHEMBL797286

SCHEMBL797286

CCCc1cccc2c(C)c3c(CCC)c4c(C)c5c(CCC)c(C(=O)O)c(C(=O)O)c(CCC)c5cc4cc3cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.36
LDHB P07195 3/20 0.36
PTPN1 P18031 1/20 0.36
PTPN11 Q06124 1/20 0.36
BID P55957 6/20 0.36
MCL1 Q07820 6/20 0.36
BCL2L1 Q07817 5/20 0.36
BAK1 Q16611 5/20 0.36
KAT8 Q9H7Z6 3/20 0.36
EP300 Q09472 2/20 0.36
KAT5 Q92993 2/20 0.36
SAE1 Q9UBE0 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 2/20 0.33
JUN P05412 1/20 0.33
MMP2 P08253 2/20 0.32

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
SCHEMBL797384 0.74 LDHA (0.44) LDHALDHBPTPN1PTPN11PPARG
SCHEMBL798576 0.74 LDHA (0.40) LDHALDHBPTPN1PTPN11BID
SCHEMBL797755 0.69 KDM4E (0.50) LDHALDHBPPARGPDE10AKDM4E
SCHEMBL6883675 0.68 KDM4E (0.56) PTPN1PTPN11BIDMCL1BCL2L1
SCHEMBL797610 0.66 LDHA (0.50) LDHALDHBPTPN1PTPN11PPARG
SCHEMBL6651914 0.66 PTPN1 (0.44) LDHALDHBPTPN1PTPN11BID
SCHEMBL5162912 0.65 BID (0.59) PTPN1PTPN11BIDMCL1BCL2L1
Ammonia Solution, Strong SCHEMBL7718997 0.64 KDM4E (0.53) LDHALDHBPTPN1PTPN11PPARG
Ammonia Solution, Strong SCHEMBL7718996 0.64 KDM4E (0.53) LDHALDHBPTPN1PTPN11PPARG
SCHEMBL5164770 0.63 BID (0.53) LDHALDHBPTPN1PTPN11BID

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-1262469-B1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2012-01-11 EP claimed