SCHEMBL327402

SCHEMBL327402

C=CCc1c(C)cc(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
POLB P06746 1/20 0.34
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
CRHR1 P34998 2/20 0.33
ALDH1A1 P00352 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 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
SCHEMBL3600818 0.85 GAA (0.42) GAAKMT2ANPSR1KDM4EGLA
SCHEMBL10754248 0.82 POLB (0.49) GAASMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL28938963 0.81 CYP3A4 (0.41) GAAKMT2ASMN1; SMN2NPSR1KDM4E
SCHEMBL13263628 0.81 NPSR1 (0.42) GAAKMT2ASMN1; SMN2NPSR1KDM4E
SCHEMBL14449458 0.80 POLB (0.34) GAAKMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL30577519 0.79 GAA (0.38) GAAKMT2ASMN1; SMN2KDM4ERAPGEF4
SCHEMBL23432742 0.78 LMNA (0.32) GAAKDM4EGLAPOLB
SCHEMBL1798820 0.78 KDM4E (0.41) GAANPSR1KDM4EGLAPOLB
SCHEMBL900740 0.77 HRH3 (0.38) GAAKMT2ASMN1; SMN2HRH3KDM4E
SCHEMBL22296029 0.77 HRH3 (0.38) GAAKMT2ASMN1; SMN2HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113443972-A Aryl C-F bond functionalization preparation method 中山大学 2021-09-28 CN disclosed
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
EP-2590973-B1 SOLIFENACIN SALTS CRYSTAL PHARMA SAU (ES) 2016-08-31 EP 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-8765785-B2 Solifenacin salts CRYSTAL PHARMA, S.A.U. (ES) 2014-07-01 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
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-20130203804-A1 SOLIFENACIN SALTS CRYSTAL PHARMA, S.A.U. (ES) 2013-08-08 US disclosed
EP-2590973-A1 SOLIFENACIN SALTS Crystal Pharma S.A.U (ES) 2013-05-15 EP 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
WO-2012079583-A1 SYSTEM PROVIDING CONTROLLED DELIVERY OF GASEOUS CO FOR CARBONYLATION REACTIONS AARHUS UNIVERSITET (DK) 2012-06-21 WO disclosed
WO-2012004264-A1 SOLIFENACIN SALTS RAGACTIVES, S.L.U. (ES) 2012-01-12 WO disclosed
US-6534595-B2 Blend of thermosetting resin, decomposable resin and solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-18 US disclosed
US-20010038887-A1 Coating solution for forming porous organic film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-08 US disclosed
US-6124070-A STABILITY UNDER HIGH HUMIDITY AND AT LOW TEMPERATURE-LOW HUMIDITY, FINE PARTICLE SIZE AND A SHARP PARTICLE DIAMETER DISTRIBUTION; COMPRISING A BINDER RESIN, A COLORANT, A METHANOL-SOLUBLE RESIN HAVING ORGANIC ACID GROUPS CANON KABUSHIKI KAISHA (JP) 2000-09-26 US disclosed