SCHEMBL10524715

SCHEMBL10524715

CCCC(=O)Oc1c2c(c(OC(=O)CCC)c3ccc(Cl)cc13)OOCC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.39
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 2/20 0.31
PREP P48147 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAOB P27338 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL10524461 0.93 KMT2A (0.36) ABCB11KMT2AALOX15GSK3B
SCHEMBL10524720 0.85 ABCB11 (0.45) ABCB11KMT2AKDM4EGAAALDH1A1
SCHEMBL10523376 0.81 ABCB11 (0.38) ABCB11KMT2AKDM4EGAAALDH1A1
SCHEMBL10525147 0.77 ELANE (0.35) KMT2AKDM4EALDH1A1CYP2C9HIF1A
SCHEMBL10524465 0.77 ABCB11 (0.40) ABCB11KMT2AALOX15GSK3B
SCHEMBL29371382 0.75 ABCB11 (0.50) ABCB11KMT2AKDM4EGAAALDH1A1
SCHEMBL10522690 0.74 ALOX15 (0.35) ABCB11KMT2AALDH1A1MEN1ALOX15
SCHEMBL10522819 0.73 ABCB11 (0.46) ABCB11KMT2AKDM4EGAAALDH1A1
SCHEMBL10525668 0.73 KMT2A (0.35) KMT2AGAAALDH1A1MEN1
SCHEMBL10525202 0.72 ABCB11 (0.38) ABCB11KMT2AKDM4EGAAALDH1A1

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
US-4840965-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1989-06-20 US claimed