SCHEMBL21139372

SCHEMBL21139372

O=C(/C=C/c1ccc(O)cc1)NCCCCC(=O)Oc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ CYP3A4 P08684 4/20 0.50
▸ HSD17B10 Q99714 4/20 0.50
▸ APP P05067 4/20 0.50
▸ RECQL P46063 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ AKR1B1 P15121 3/20 0.50
▸ IPMK Q8NFU5 3/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ IP6K2 Q9UHH9 3/20 0.50
▸ THRB P10828 2/20 0.50
▸ ELAVL3 Q14576 2/20 0.50
▸ TP53 P04637 3/20 0.49
▸ CYP1A2 P05177 3/20 0.49
▸ CYP2C9 P11712 3/20 0.49
▸ ALOX15 P16050 3/20 0.49
▸ HIF1A Q16665 3/20 0.49

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
SCHEMBL21139389 0.89 MEN1 (0.54) MEN1KMT2AKDM4ECYP3A4HSD17B10
SCHEMBL21139363 0.80 MEN1 (0.51) MEN1KMT2AKDM4ECYP3A4HSD17B10
SCHEMBL13846135 0.80 MEN1 (0.57) MEN1KMT2AKDM4ECYP3A4HSD17B10
SCHEMBL21139370 0.80 MEN1 (0.55) MEN1KMT2AKDM4ECYP3A4HSD17B10
SCHEMBL3985496 0.78 MEN1 (0.64) MEN1KMT2AKDM4ECYP3A4HSD17B10
SCHEMBL21139364 0.78 SRC (0.56) MEN1KMT2AKDM4ECYP3A4HSD17B10
SCHEMBL21139361 0.78 SRC (0.54) MEN1KMT2AKDM4ECYP3A4HSD17B10
SCHEMBL21140119 0.78 SRC (0.40) MEN1KMT2AKDM4ECYP3A4HSD17B10
SCHEMBL13846134 0.77 POLH (0.58) MEN1KMT2AKDM4EHSD17B10APP
SCHEMBL13846215 0.77 POLH (0.49) APPBCL9CTNNB1ALOX5POLH

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-2019111265-A1 COMPOUNDS AND METHODS FOR TREATING CANCER SHARE GAL RESEARCH AND DEVELOPMENT LTD (IL) 2019-06-13 — — WO disclosed
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