SCHEMBL9622236

SCHEMBL9622236

COc1cc(CSC2CCN(CC=Cc3ccccc3)CC2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MCHR1 Q99705 2/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
BCHE P06276 3/20 0.45
BACE1 P56817 2/20 0.45
PKM P14618 1/20 0.45
APP P05067 1/20 0.44
ACHE P22303 2/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44

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
SCHEMBL9622231 1.00 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MCHR1LMNAGAA
SCHEMBL9622908 0.85 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MCHR1LMNAGAA
SCHEMBL9622905 0.85 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MCHR1LMNAGAA
SCHEMBL9367280 0.84 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MCHR1LMNAGAA
SCHEMBL9367286 0.84 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MCHR1LMNAGAA
Fumaric Acid SCHEMBL9622181 0.79 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MCHR1LMNAGAA
Fumaric Acid SCHEMBL9622178 0.79 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MCHR1LMNAGAA
Fumaric Acid SCHEMBL9622176 0.79 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MCHR1LMNAGAA
SCHEMBL9622597 0.74 LMNA (0.44) SMN1; SMN2ALDH1A1LMNAMAPTTSHR
SCHEMBL9622599 0.74 LMNA (0.44) SMN1; SMN2ALDH1A1LMNAMAPTTSHR

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