SCHEMBL9622896

SCHEMBL9622896

CCOC(=O)N1CCC(SCc2ccc(OC)c(OC)c2OC)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CYP2C19 P33261 2/20 0.46
POLB P06746 1/20 0.46
PDE4B Q07343 1/20 0.43
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9622848 0.80 CHRM2 (0.45) CYP2C19POLBMEN1KMT2AKDM4E
SCHEMBL30573474 0.77 CYP2C19 (0.67) ALDH1A1CYP2C19POLBPKMMEN1
SCHEMBL9622210 0.74 CYP1A2 (0.52) POLBMEN1KMT2ASMN1; SMN2
Fumaric Acid SCHEMBL9622178 0.71 ALDH1A1 (0.49) ALDH1A1CYP2C19MAPTMEN1KMT2A
Fumaric Acid SCHEMBL9622181 0.71 ALDH1A1 (0.49) ALDH1A1CYP2C19MAPTMEN1KMT2A
SCHEMBL9622306 0.70 ALOX5 (0.47) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9366603 0.70 CPT1B (0.55) ALDH1A1POLBMAPTPKMMEN1
SCHEMBL9367280 0.70 SMN1; SMN2 (0.48) ALDH1A1CYP2C19MAPTPKMMEN1
SCHEMBL9367286 0.70 SMN1; SMN2 (0.48) ALDH1A1CYP2C19MAPTPKMMEN1
SCHEMBL3545519 0.68 MEN1 (0.58) ALDH1A1CYP2C19POLBPDE4BMAPT

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