SCHEMBL27712159

SCHEMBL27712159

O=C(O)CCCc1cccc(CO)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ HDAC3 O15379 2/20 0.66
▸ HDAC4 P56524 2/20 0.66
▸ HDAC1 Q13547 2/20 0.66
▸ HDAC7 Q8WUI4 2/20 0.66
▸ HDAC2 Q92769 2/20 0.66
▸ HDAC10 Q969S8 2/20 0.66
▸ HDAC11 Q96DB2 2/20 0.66
▸ HDAC8 Q9BY41 2/20 0.66
▸ HDAC6 Q9UBN7 2/20 0.66
▸ HDAC9 Q9UKV0 2/20 0.66
▸ HDAC5 Q9UQL6 2/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ ADRA1A P35348 1/20 0.66
▸ SLC6A3 Q01959 1/20 0.66
▸ CYP1A2 P05177 2/20 0.57
▸ MAPT P10636 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53

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
SCHEMBL27578485 0.93 MAPT (0.68) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL25342051 0.92 HDAC3 (0.76) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9051375 0.89 FFAR1 (0.64) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL27780871 0.85 SMN1; SMN2 (0.66) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1197247 0.85 MAPT (0.78) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1666941 0.84 SMN1; SMN2 (0.63) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL29010038 0.84 SMN1; SMN2 (0.63) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL30427751 0.84 SMN1; SMN2 (0.63) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL29009897 0.84 SMN1; SMN2 (0.63) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL27691973 0.84 SMN1; SMN2 (0.63) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7

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
CN-102007098-B Therapeutic substituted cyclopentanes ALLERGAN INC 2014-05-07 — — CN disclosed
CN-101107225-B 12-aryl prostaglandin analogs ALLERGAN INC 2012-11-28 — — CN disclosed
CN-102007098-A Therapeutic substituted cyclopentanes ALLERGAN INC 2011-04-06 — — CN disclosed
CN-101107225-A 12-aryl prostaglandin analogs ALLERGAN INC (US) 2008-01-16 — — CN disclosed
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