SCHEMBL9622306

SCHEMBL9622306

COc1ccc(CSC2CCN(CCCOc3cc(C)c(O)c(C)c3C)CC2)c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.47
CPT1B Q92523 1/20 0.44
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9367495 0.88 CPT1B (0.46) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL9622605 0.85 CPT1B (0.37) ALOX5CPT1BMEN1KMT2AKDM4E
SCHEMBL9622667 0.85 CPT1B (0.40) ALOX5CPT1BMEN1KMT2A
SCHEMBL9015966 0.83 CPT1B (0.58) ALOX5CPT1BMEN1KMT2AKDM4E
SCHEMBL9622863 0.82 CPT1B (0.57) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL9015965 0.80 MEN1 (0.57) ALOX5CPT1BMEN1KMT2AKDM4E
SCHEMBL9622223 0.79 CPT1B (0.56) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL9623027 0.78 CPT1B (0.74) CPT1BMEN1KMT2AKDM4EALDH1A1
Fumaric Acid SCHEMBL9296208 0.77 MEN1 (0.54) ALOX5CPT1BMEN1KMT2AKDM4E
Fumaric Acid SCHEMBL9296210 0.77 MEN1 (0.54) ALOX5CPT1BMEN1KMT2AKDM4E

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-5126356-A Antiischemic agents ADIR ET COMPAGNIE (FR) 1992-06-30 US disclosed