SCHEMBL2363249

SCHEMBL2363249

C=CC(O)OC(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
CYP3A4 P08684 1/20 0.54
LMNA P02545 5/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
AKT1 P31749 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ADRB2 P07550 1/20 0.39
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37

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
Benzoin SCHEMBL2363246 0.85 LMNA (0.68) ALDH1A1CYP3A4LMNACES2CES1
SCHEMBL9580763 0.84 ALDH1A1 (0.59) ALDH1A1CYP3A4LMNACES2CES1
SCHEMBL30283 0.84 ALDH1A1 (0.67) ALDH1A1CYP3A4LMNACES2CES1
Water SCHEMBL9512888 0.82 ALDH1A1 (0.65) ALDH1A1CYP3A4LMNACES2CES1
Styrene SCHEMBL10487738 0.80 ALDH1A1 (0.51) ALDH1A1CYP3A4LMNACES2CES1
SCHEMBL8920033 0.79 ALDH1A1 (0.57) ALDH1A1CYP3A4LMNACES2CES1
Acetone SCHEMBL11699343 0.79 ALDH1A1 (0.71) ALDH1A1CYP3A4LMNACES2CES1
SCHEMBL159213 0.78 ALDH1A1 (0.69) ALDH1A1CYP3A4LMNACES2CES1
SCHEMBL19630391 0.77 ALDH1A1 (0.64) ALDH1A1CYP3A4LMNACES2CES1
Hydrogen Peroxide SCHEMBL28172808 0.77 ALDH1A1 (0.64) ALDH1A1CYP3A4LMNACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989563-B2 Resin compositions, films using the same and process for producing the films LINTEC CORPORATION (JP) 2011-08-02 US disclosed
US-20090209718-A1 RESIN COMPOSITIONS, FILMS USING THE SAME AND PROCESS FOR PRODUCING THE FILMS LINTEC CORPORATION (JP) 2009-08-20 US disclosed
US-7230061-B2 Process for production of water-soluble (meth)acrylic polymers, water-soluble (meth)acrylic polymers, and use thereof NIPPON SHOKUBAI CO., LTD. (JP) 2007-06-12 US disclosed
EP-1454928-B1 PROCESS FOR PRODUCTION OF WATER-SOLUBLE (METH)ACRYLIC POLYMERS, WATER-SOLUBLE (METH)ACRYLIC POLYMERS, AND USE THEREOF NIPPON CATALYTIC CHEM IND (JP) 2007-02-28 EP disclosed
EP-1454928-A1 PROCESS FOR PRODUCTION OF WATER−SOLUBLE (METH)ACRYLIC POLYMERS, WATER−SOLUBLE (METH)ACRYLIC POLYMERS, AND USE THEREOF Nippon Shokubai Co., Ltd. (JP) 2004-09-08 EP disclosed
US-20040110861-A1 Process for production of water-soluble (meth)acrylic polymers, water-soluble (meth) acrylic polymers, and use thereof NIPPON SHOKUBAI CO., LTD. (JP) 2004-06-10 US disclosed