SCHEMBL6520274

SCHEMBL6520274

C=C(C(=O)O)C(C)(CC(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.40
CES2 O00748 1/20 0.40
AKR1B1 P15121 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C19 P33261 2/20 0.38
CTBP2 P56545 1/20 0.38
VNN1 O95497 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 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
SCHEMBL6521065 0.78 ALDH1A1 (0.49) TDP1L3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6515543 0.78 MAPT (0.42) CES1TDP1L3MBTL1CYP3A4CYP2C9
SCHEMBL6520257 0.77 ELANE (0.39) TDP1L3MBTL1ALDH1A1CYP2C19KMT2A
SCHEMBL6515984 0.77 CES1 (0.39) CES1CES2AKR1B1TDP1L3MBTL1
SCHEMBL10906216 0.76 CES1 (0.52) CES1CES2AKR1B1TDP1L3MBTL1
SCHEMBL6518190 0.75 L3MBTL1 (0.47) CES1CES2AKR1B1TDP1L3MBTL1
SCHEMBL6523959 0.75 TDP1 (0.35) CES1CES2AKR1B1TDP1L3MBTL1
SCHEMBL6519752 0.74 TET2 (0.39) TDP1CYP2C19TSHRHIF1A
SCHEMBL6515135 0.73 EPHX2 (0.41) CES1CES2AKR1B1L3MBTL1ALDH1A1
SCHEMBL4689979 0.72 CES1 (0.44) CES1CES2AKR1B1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed