SCHEMBL12714331

SCHEMBL12714331

CC(=O)c1ccccc1C(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX15 P16050 1/20 0.39
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
PBRM1 Q86U86 1/20 0.38
MEN1 O00255 1/20 0.38
NSD2 O96028 1/20 0.38
POLB P06746 1/20 0.38
MCL1 Q07820 1/20 0.38
ABCB1 P08183 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL11809743 0.84 KDM4E (0.41) CES2CES1ALDH1A1LMNAKDM4E
SCHEMBL1635308 0.84 GABRA1 (0.50) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL29567244 0.84 GABRA1 (0.50) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL7225524 0.83 CES2 (0.39) CES2CES1ALDH1A1LMNAKDM4E
SCHEMBL476005 0.83 CES2 (0.39) CES2CES1ALDH1A1LMNAKDM4E
Hydrogen Peroxide SCHEMBL1652481 0.82 GABRA1 (0.48) ALDH1A1LMNAALOX15KMT2AMAPT
SCHEMBL965996 0.81 LMNA (0.48) CES2CES1ALDH1A1LMNAKDM4E
SCHEMBL378837 0.81 LMNA (0.48) CES2CES1ALDH1A1LMNAKDM4E
SCHEMBL31681943 0.81 LMNA (0.48) CES2CES1ALDH1A1LMNAKDM4E
SCHEMBL1286264 0.81 LMNA (0.48) CES2CES1ALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563343-A Resin combination uses its sheet material, laminated body, power semiconductor, plasma processing apparatus and method for making semiconductor 东丽株式会社 2019-04-02 CN disclosed
CN-102947221-A Methods of producing precursor solutions and sol-gels for nano-engineered carbon materials and nano-engineered carbon materials formed therefrom GEORGIA PACIFIC CHEMICALS LLC 2013-02-27 CN disclosed
EP-2305046-A2 Taste potentiator compositions and beverages containing the same Cadbury Adams USA LLC (US) 2011-04-06 EP disclosed