SCHEMBL3047788

SCHEMBL3047788

C=CCc1c(C)ccc(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
ALOX15 P16050 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
KDM4E B2RXH2 5/20 0.33
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 2/20 0.33
SRD5A1 P18405 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
GAA P10253 3/20 0.31
LMNA P02545 2/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL7154219 0.85 ALDH1A1 (0.31) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL6591933 0.83 SRD5A1 (0.47) ALDH1A1CYP3A4KDM4EMAPTL3MBTL1
SCHEMBL11109920 0.83 XDH (0.42) ALDH1A1CYP3A4KDM4EMAPTHPGD
Methylamine SCHEMBL28377267 0.81 SRD5A1 (0.33) ALDH1A1CYP3A4KDM4EMAPTL3MBTL1
Bromide SCHEMBL8186970 0.81 IMPDH2 (0.42) ALDH1A1CYP3A4TSHRKDM4EMAPT
SCHEMBL4629842 0.80 PON1 (0.35) KDM4EGAAGLA
SCHEMBL19011756 0.79 SMN1; SMN2 (0.33) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4
Ammonia Solution, Strong SCHEMBL3883290 0.78 PON1 (0.37)
SCHEMBL900990 0.78 CYP1A2 (0.30) TSHR
SCHEMBL1235826 0.78 MAPT (0.44) ALDH1A1ALOX15SMN1; SMN2TP53CYP3A4

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 7 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
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
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-2010031408-A2 GEL COMPOSITIONS AARHUS UNIVERSITET (DK) 2010-03-25 WO disclosed