SCHEMBL9568063

SCHEMBL9568063

COC(=O)CCCCCCCCc1cccc2c1S(=O)(=O)NC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 4/20 0.39
PTPN13 Q12923 2/20 0.39
HPGD P15428 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.36
USP2 O75604 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
BCHE P06276 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
KMT2A Q03164 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL3417559 0.81 NR1H2 (0.46) LMNAKDM4ECA12USP2CA1
SCHEMBL9751229 0.81 NR1H2 (0.46) LMNAKDM4ECA12USP2CA1
SCHEMBL3806455 0.78 PTGER4 (0.47) LMNAKDM4ECA12USP2CA1
SCHEMBL529430 0.72 CA12 (0.43) LMNAKDM4ECA12USP2CA1
SCHEMBL11723225 0.69 CYP4F2 (0.70) PTPRCPTPN13HPGDHDAC1HDAC6
SCHEMBL11716931 0.69 CYP4F2 (0.47) PTPRCPTPN13HPGDHDAC1HDAC6
SCHEMBL28789110 0.69 CYP1A2 (0.52) HPGDCYP4F2CYP4A11ALDH1A1
SCHEMBL13440433 0.69 CA12 (0.46) LMNAKDM4ECA12USP2CA1
SCHEMBL8111097 0.68 F13A1 (0.61) PTPRCPTPN13HPGDLMNAKMT2A
SCHEMBL27697736 0.68 CYP4F2 (0.49) PTPRCPTPN13HPGDHDAC1HDAC6

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-0542145-A1 Oligosaccharides with antigenic determinants from the jelly coat of amphibian eggs MERCK PATENT GmbH (DE) 1993-05-19 EP disclosed