SCHEMBL9696447

SCHEMBL9696447

COC(=O)CC(CN)c1cc2cc(C(C)C)ccc2o1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
ADAM17 P78536 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
ALOX5 P09917 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL9696413 0.87 RAB9A (0.39) MAPTRAB9AADAM17MAOAMAOB
SCHEMBL9198993 0.86 GABBR2 (0.44) RAB9ALMNAGAAALOX5
SCHEMBL9696441 0.76 MAPT (0.41) MAPTRAB9AGAA
SCHEMBL9195312 0.76 GAA (0.43) LMNAGAAALOX5
SCHEMBL9315029 0.73 KDM4E (0.40) MAPTLMNATP53MAOAMAOB
SCHEMBL9196674 0.70 MAOB (0.47) TAS1R3TAS1R1ADAM17LMNAMAOB
SCHEMBL12269180 0.70 NPC1 (0.49) MAPTRAB9ALMNATP53GAA
SCHEMBL23731633 0.70 MEN1 (0.45) MAPTRAB9ALMNAGAAALOX5
SCHEMBL9315754 0.69 PIM1 (0.55) MAPTRAB9AADAM17LMNAMAOA
SCHEMBL12869441 0.68 PIM1 (0.58) MAPTRAB9ALMNATP53GAA

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-5162364-A Treatment of spastic and senescence disorders ADIR ET COMPAGNIE (FR) 1992-11-10 US disclosed