SCHEMBL17983282

SCHEMBL17983282

CCC(CN1C(=O)C=CC1=O)C1OC1CC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.38
ALDH1A1 P00352 2/20 0.38
BLM P54132 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
THPO P40225 1/20 0.38
PMP22 Q01453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
FAAH O00519 2/20 0.33
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
WRN Q14191 1/20 0.31
HIF1A Q16665 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL17983145 0.81
SCHEMBL17983287 0.81 MEN1 (0.32)
SCHEMBL17983172 0.79 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C19
SCHEMBL17983003 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL17983322 0.75 CYP1B1 (0.33) ALDH1A1HPGD
SCHEMBL17983104 0.74 CYP1B1 (0.51) ALDH1A1MAPTNPSR1CYP1A2HPGD
SCHEMBL17983316 0.73 MGLL (0.41) MGLLALDH1A1BLMGMNNLMNA
SCHEMBL2396523 0.72
SCHEMBL17983089 0.71 GMNN (0.33) MGLLALDH1A1BLMGMNNLMNA
SCHEMBL17983027 0.70 MGLL (0.37) MGLLALDH1A1BLMGMNNLMNA

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-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