SCHEMBL9367495

SCHEMBL9367495

COc1cc(OCCCN2CCC(SCc3ccc(OC)c(OC)c3OC)CC2)c(OC)c(OC)c1O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPT1B Q92523 1/20 0.46
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
SPIN1 Q9Y657 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL9622306 0.88 ALOX5 (0.47) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL9622863 0.84 CPT1B (0.57) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL9622223 0.81 CPT1B (0.56) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL9623027 0.80 CPT1B (0.74) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL9623012 0.79 CPT1B (0.56) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL9622314 0.78 CPT1B (0.69) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL9622848 0.77 CHRM2 (0.45) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL9366603 0.74 CPT1B (0.55) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL9622237 0.74 CPT1B (0.54) CPT1BMEN1KMT2AKDM4EALDH1A1
SCHEMBL9622667 0.74 CPT1B (0.40) CPT1BMEN1KMT2A

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-0433167-B1 Piperidine derivates, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1994-03-02 EP claimed