SCHEMBL10987285

SCHEMBL10987285

O=C(O)[C@@H]1CC(O)(Cc2ccccc2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
HTR2C P28335 1/20 0.42
PREP P48147 4/20 0.42
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL10986180 0.93 GRIN2B (0.43) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL10992885 0.90 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL10987242 0.89 NPC1 (0.45) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL11231397 0.88 RAB9A (0.44) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL200902 0.88 PREP (0.44) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL10991366 0.87 HSD17B10 (0.43) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL10985753 0.87 PREP (0.42) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL10989802 0.86 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL10984991 0.86 NPC1 (0.43) SMN1; SMN2NPC1RAB9APSEN1PSEN2
SCHEMBL10987961 0.86 ELANE (0.44) SMN1; SMN2NPC1RAB9APSEN1PSEN2

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
US-4499287-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-02-12 US disclosed
US-4456761-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1984-06-26 US disclosed
US-4356182-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-10-26 US disclosed
US-4291040-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1981-09-22 US disclosed