SCHEMBL5591074

SCHEMBL5591074

CC1(CN2C(=O)c3ccccc3C2=O)CO1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ACHE P22303 3/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
GLS O94925 1/20 0.42
DRD3 P35462 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL3289588 1.00 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19ACHE
SCHEMBL14381658 0.83 CYP1A2 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19ACHE
SCHEMBL17789326 0.82 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19ACHE
SCHEMBL12817939 0.81 CYP1A2 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19ACHE
SCHEMBL17983066 0.80 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19
SCHEMBL17983217 0.79 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19ACHE
SCHEMBL4216778 0.78 GAA (0.49) ALDH1A1CYP1A2CYP2C9MAPTRECQL
SCHEMBL4216777 0.78 GAA (0.49) ALDH1A1CYP1A2CYP2C9MAPTRECQL
SCHEMBL6231333 0.78 GAA (0.49) ALDH1A1CYP1A2CYP2C9MAPTRECQL
SCHEMBL14928448 0.78 CYP1A2 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ACHE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540463-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2017-01-10 US claimed
US-20160237186-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2016-08-18 US claimed
US-9540463-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2017-01-10 US disclosed
US-20160237186-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2016-08-18 US disclosed
JP-2007297305-A METHOD FOR PRODUCING N-(2,3-EPOXY-2-METHYLPROPYL)PHTHALIMIDE DAISO CO LTD 2007-11-15 JP disclosed