SCHEMBL28077186

SCHEMBL28077186

CCCCCCCCCCCCCc1cccc(C(=O)O)c1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 6/20 0.61
MCL1 Q07820 6/20 0.61
BCL2L1 Q07817 5/20 0.61
BAK1 Q16611 5/20 0.61
KAT8 Q9H7Z6 3/20 0.61
PPARA Q07869 3/20 0.61
SAE1 Q9UBE0 2/20 0.61
PPARG P37231 2/20 0.61
EP300 Q09472 2/20 0.61
KAT5 Q92993 2/20 0.61
KAT2A Q92830 1/20 0.61
KAT2B Q92831 1/20 0.61
F7 P08709 3/20 0.53
F3 P13726 3/20 0.53
MMP2 P08253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
ECE1 P42892 1/20 0.53
SGMS1 Q86VZ5 1/20 0.53

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
SCHEMBL27823255 1.00 BID (0.61) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL27823253 1.00 BID (0.61) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL27823254 1.00 BID (0.61) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL8818594 1.00 BID (0.61) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL2948607 1.00 BID (0.61) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9008644 1.00 BID (0.61) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL17541430 1.00 BID (0.61) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9190600 1.00 BID (0.61) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL1908423 0.98 BID (0.59) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL7157314 0.94 G6PD (0.53) BIDMCL1BCL2L1BAK1KAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105642185-B A kind of anionic-cationic-nonionic surface active agent, its manufacturing method and its application 中国石油化工股份有限公司 2018-07-31 CN disclosed
CN-105642185-A Anionic-cationic-nonionic surfactant, preparation method therefor and application of anionic-cationic-nonionic surfactant 中国石油化工股份有限公司 2016-06-08 CN disclosed