SCHEMBL798576

SCHEMBL798576

CCCc1cccc2cc3c(CCC)c4cc5c(CCC)c(C(=O)O)c(C(=O)O)c(CCC)c5cc4cc3cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.40
LDHB P07195 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.38
BID P55957 3/20 0.37
MCL1 Q07820 3/20 0.37
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL797285 0.86 MTNR1A (0.41) MTNR1AMTNR1B
SCHEMBL797610 0.77 LDHA (0.50) LDHALDHBKDM4EALDH1A1HPGD
SCHEMBL797284 0.77 RXRA (0.33) MTNR1AMTNR1B
SCHEMBL797608 0.75 LDHA (0.54) LDHALDHBKDM4EALDH1A1HPGD
SCHEMBL797286 0.74 LDHA (0.36) LDHALDHBKDM4EHSD17B10PTPN1
SCHEMBL1307677 0.74 GPR84 (0.43) KDM4EALDH1A1MTNR1AGAA
SCHEMBL797087 0.74 LDHA (0.56) LDHALDHBKDM4EALDH1A1HPGD
SCHEMBL6883675 0.73 KDM4E (0.56) KDM4EALDH1A1HPGDMEN1CYP1A2
SCHEMBL6735943 0.73 ALDH1A1 (0.44) ALDH1A1HPGDCYP1A2HSD17B10MTNR1A
SCHEMBL11747119 0.72 GPR84 (0.42) KDM4EALDH1A1MTNR1AGAA

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