SCHEMBL4453040

SCHEMBL4453040

C=CCc1cccc(O)c1C=CC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.49
GABRB2 P47870 3/20 0.49
POLB P06746 1/20 0.42
AKR1B1 P15121 1/20 0.42
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CASP1 P29466 1/20 0.39
ALOX5 P09917 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 2/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL8163478 0.82 GABRA1 (0.55) GABRA1GABRB2POLBAKR1B1KMT2A
SCHEMBL28738148 0.80 GABRA1 (0.48) GABRA1GABRB2
SCHEMBL2537085 0.80 GABRA1 (0.46) GABRA1GABRB2POLBAKR1B1KMT2A
SCHEMBL166586 0.79 GABRA1 (0.52) GABRA1GABRB2POLBAKR1B1KMT2A
SCHEMBL4704501 0.79 GABRA1 (0.52) GABRA1GABRB2POLBAKR1B1KMT2A
SCHEMBL6039090 0.78 GABRA1 (0.40) GABRA1GABRB2ALDH1A1KDM4ELMNA
SCHEMBL9742941 0.77 TTR (0.50) POLBALDH1A1GAAMAPTKDM4E
SCHEMBL9742937 0.77 TTR (0.50) POLBALDH1A1GAAMAPTKDM4E
2-Allylphenol SCHEMBL17255599 0.76 POLB (0.41) GABRA1GABRB2POLBAKR1B1KMT2A
2-Allylphenol SCHEMBL17255600 0.76 POLB (0.41) GABRA1GABRB2POLBAKR1B1KMT2A

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
JP-9221517-A None JP disclosed
WO-2014169106-A1 MODIFIED PLANTS FOR PRODUCING AROMA/FINE/SPECIALTY CHEMICALS WASHINGTON STATE UNIVERSITY (US) 2014-10-16 WO disclosed
US-8354188-B2 Polymer for lithium ion secondary battery and lithium ion secondary battery using same SANYO ELECTRIC CO., LTD. (JP) 2013-01-15 US disclosed
US-20090246635-A1 Polymer for Lithium Ion Secondary Battery and Lithium Ion Secondary Battery Using Same SUNSTAR GIKEN KABUSHIKI KAISHA (JP) 2009-10-01 US disclosed
JP-H09221517-A DISPERSANT DAI ICHI KOGYO SEIYAKU CO LTD 1997-08-26 JP disclosed
US-5563195-A BLEND OF A MODIFIED POLYOLEFIN AND BLOCKED ISOCYANATE NIPPON PAPER INDUSTRIES, CO., LTD. (JP) 1996-10-08 US disclosed
US-5559176-A WATER RESISTANCE NIPPON PAPER INDUSTRIES, CO., LTD. (JP) 1996-09-24 US disclosed
US-5534577-A ALKYLENE OXIDE TYPE SURFACTANT, REACTIVE ISOCYANATE, PAINTS, INKS, COATINGS, SEALANTS, ADHESIVES NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1996-07-09 US disclosed