SCHEMBL4693213

SCHEMBL4693213

COc1ccc(COc2ccc(C(N)=O)c(CC(C)O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP15 Q460N3 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ PARP10 Q53GL7 4/20 0.45
▸ PARP14 Q460N5 1/20 0.45
▸ SMPD1 P17405 1/20 0.44
▸ FFAR1 O14842 2/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ MAOB P27338 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 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
SCHEMBL4693369 0.82 FFAR1 (0.49) PARP15ALDH1A1MAPTHTTNPC1
SCHEMBL8567413 0.72 SMPD1 (0.52) ALDH1A1MAPTHTTNPC1RAB9A
SCHEMBL3729542 0.72 RAB9A (0.57) ALDH1A1MAPTHTTNPC1RAB9A
SCHEMBL7669393 0.72 RAB9A (0.57) ALDH1A1MAPTHTTNPC1RAB9A
SCHEMBL8425312 0.72 RAB9A (0.65) ALDH1A1MAPTHTTNPC1RAB9A
SCHEMBL29032297 0.71 POLB (0.41) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12339549 0.71 PARP10 (0.83) ALDH1A1MAPTHTTNPC1RAB9A
SCHEMBL30418238 0.71 SMPD1 (0.71) ALDH1A1MAPTHTTNPC1RAB9A
SCHEMBL7438620 0.71 SMPD1 (0.71) ALDH1A1MAPTHTTNPC1RAB9A
SCHEMBL11013421 0.71 KDM4E (0.49) PARP15ALDH1A1MAPTHTTNPC1

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
EP-1521757-B1 TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2008-01-30 — — EP disclosed
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