SCHEMBL12802431

SCHEMBL12802431

C=CC=Cc1ccccc1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.38
CCND1 P24385 3/20 0.38
CHAT P28329 1/20 0.37
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
PTGER3 P43115 2/20 0.33
PTGER2 P43116 2/20 0.33
PTGER4 P35408 1/20 0.33
MGLL Q99685 1/20 0.33
FFAR1 O14842 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGDR Q13258 1/20 0.33
CTSB P07858 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32

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
SCHEMBL12802428 1.00 CDK4 (0.38) CDK4CCND1CHATGABRA1GABRB2
SCHEMBL14452362 1.00 CDK4 (0.38) CDK4CCND1CHATGABRA1GABRB2
SCHEMBL12802287 0.85 CDK4 (0.33) CDK4CCND1FFAR1
SCHEMBL12802288 0.85 CDK4 (0.33) CDK4CCND1FFAR1
SCHEMBL27417811 0.83 CHAT (0.41) CHATPTGER3PTGER2PTGER4NFE2L2
SCHEMBL3314625 0.83 CHAT (0.47) CDK4CCND1CHATGABRA1GABRB2
SCHEMBL6546259 0.83 CHAT (0.47) CDK4CCND1CHATGABRA1GABRB2
SCHEMBL12802118 0.82 CYP3A4 (0.40) CDK4CCND1PTGER3PTGER2PTGER4
SCHEMBL12802115 0.82 CYP3A4 (0.40) CDK4CCND1PTGER3PTGER2PTGER4
SCHEMBL629155 0.82 CDK4 (0.54) CDK4CCND1CHATGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9587042-B2 Process for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, and polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-03-07 US disclosed
CN-102731722-B For the production of the method for modified conjugated diene polymer, modified conjugated diene polymer and polymer composition SUMITOMO CHEMICAL CO., LTD. (JP) 2016-03-16 CN disclosed
US-8933165-B2 Method for producing modified conjugated diene-based polymer, and method for producing polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-13 US disclosed
US-8835564-B2 Method for producing modified conjugated diene-based polymer, and method for producing polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-16 US disclosed
US-20140088242-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING POLYMER COMPOSITION ZEON CORPORATION (JP) 2014-03-27 US disclosed
US-20140088256-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING POLYMER COMPOSITION ZEON CORPORATION (JP) 2014-03-27 US disclosed
CN-102731722-A Process for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, and polymer composition SUMITOMO CHEMICAL CO 2012-10-17 CN disclosed
US-20120252966-A1 PROCESS FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, MODIFIED CONJUGATED DIENE-BASED POLYMER, AND POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED 2012-10-04 US disclosed