SCHEMBL9367286

SCHEMBL9367286

COc1ccc(CSC2CCN(CC=Cc3ccccc3)CC2)c(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 3/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 2/20 0.43
MCHR1 Q99705 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
APP P05067 1/20 0.41

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
SCHEMBL9367280 1.00 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1GAATSHRLMNA
Fumaric Acid SCHEMBL9622181 0.93 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1GAATSHRLMNA
Fumaric Acid SCHEMBL9622178 0.93 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1GAATSHRLMNA
Fumaric Acid SCHEMBL9622176 0.93 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1GAATSHRLMNA
SCHEMBL9622597 0.90 LMNA (0.44) SMN1; SMN2ALDH1A1TSHRLMNAMAPT
SCHEMBL9622599 0.90 LMNA (0.44) SMN1; SMN2ALDH1A1TSHRLMNAMAPT
SCHEMBL9622905 0.86 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1GAATSHRLMNA
SCHEMBL9622908 0.86 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1GAATSHRLMNA
SCHEMBL9622236 0.84 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1GAATSHRLMNA
SCHEMBL9622231 0.84 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1GAATSHRLMNA

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 4 patents. 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
JP-6340626-A None JP disclosed
JP-H06340626-A NEW PIPERIDINE COMPOUND, ITS PREPARATION AND ITS PHARMACEUTICAL COMPOSITION ADIR 1994-12-13 JP disclosed
US-5126356-A Antiischemic agents ADIR ET COMPAGNIE (FR) 1992-06-30 US disclosed