SCHEMBL4693369

SCHEMBL4693369

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.49
▸ PARP15 Q460N3 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PARP10 Q53GL7 5/20 0.46
▸ PARP14 Q460N5 1/20 0.46
▸ SMPD1 P17405 1/20 0.46
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ MAOB P27338 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ APP P05067 1/20 0.43

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
SCHEMBL4693213 0.82 PARP15 (0.46) FFAR1PARP15ALDH1A1MAPTHTT
SCHEMBL29625514 0.75 TAAR1 (0.58) PARP15MAPTNPC1RAB9APARP10
SCHEMBL18614962 0.74 PARP10 (0.52) FFAR1PARP15MAPTPARP10PARP14
SCHEMBL9121493 0.74 FFAR1 (0.66) FFAR1ALDH1A1MAPTHTTNPC1
SCHEMBL29387252 0.74 KDM4E (0.40) PARP15ALDH1A1HTTNPC1RAB9A
SCHEMBL7669393 0.74 RAB9A (0.57) FFAR1ALDH1A1MAPTHTTNPC1
SCHEMBL3729542 0.74 RAB9A (0.57) FFAR1ALDH1A1MAPTHTTNPC1
SCHEMBL8425312 0.74 RAB9A (0.65) FFAR1ALDH1A1MAPTHTTNPC1
SCHEMBL12339549 0.73 PARP10 (0.83) FFAR1ALDH1A1MAPTHTTNPC1
SCHEMBL4294900 0.73 SMN1; SMN2 (0.53) ALDH1A1HTTNPC1RAB9APOLB

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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