SCHEMBL26752111

SCHEMBL26752111

C=C(C)c1cccc(N)c1CC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.37
HSD17B10 Q99714 6/20 0.37
KDM4E B2RXH2 3/20 0.34
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.33
PIK3CA P42336 1/20 0.33
MMP2 P08253 1/20 0.33
CFTR P13569 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
CDC25B P30305 2/20 0.31
CD44 P16070 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
PARP1 P09874 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3806401 0.81 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4ETSHRMMP2
SCHEMBL13987119 0.80 GABRA1 (0.36) ALDH1A1HSD17B10KDM4ETSHRCYP3A4
SCHEMBL11431591 0.78 MEN1 (0.36) ALDH1A1HSD17B10KDM4ETSHRMMP2
SCHEMBL1362796 0.78 MAOA (0.37) ALDH1A1HSD17B10KDM4ETSHRHPGD
SCHEMBL1673477 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EMMP2CFTR
SCHEMBL1362480 0.78 GABRA1 (0.45) ALDH1A1TSHRLMNAGABRA1GABRB2
SCHEMBL3622851 0.77 PARP1 (0.46) ALDH1A1HSD17B10KDM4ETSHRCYP3A4
SCHEMBL1126873 0.77 MMP2 (0.55) ALDH1A1HSD17B10KDM4EMMP2CFTR
SCHEMBL434493 0.76 CYP3A4 (0.48) ALDH1A1HSD17B10TSHRCYP3A4PIK3CA
Hydrochloric Acid SCHEMBL28057982 0.76 PARP1 (0.45) ALDH1A1HSD17B10KDM4ETSHRCYP3A4

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
CN-104334629-B Rubber composition for tire tread and pneumatic tire 住友橡胶工业株式会社 2016-08-24 CN disclosed
CN-104334629-A Tread rubber composition and pneumatic tire SUMITOMO RUBBER IND 2015-02-04 CN disclosed
CN-102432759-A Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer SUMITOMO CHEMICAL CO 2012-05-02 CN disclosed
CN-102286130-A Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer 2011-12-21 CN disclosed