SCHEMBL8397904

SCHEMBL8397904

O=CC(=O)C(=O)c1ccco1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.71
CES1 P23141 1/20 0.71
PTPN1 P18031 2/20 0.63
ALDH1A1 P00352 6/20 0.50
POLB P06746 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
RECQL P46063 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
THRB P10828 1/20 0.50
APEX1 P27695 1/20 0.50
MAPT P10636 4/20 0.46
AGTR1 P30556 1/20 0.46
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL15233 0.84 CES2 (1.00) CES2CES1PTPN1ALDH1A1POLB
SCHEMBL2155972 0.84 CES2 (1.00) CES2CES1PTPN1ALDH1A1POLB
SCHEMBL8199604 0.81 CES2 (0.95) CES2CES1PTPN1ALDH1A1POLB
SCHEMBL11448058 0.81 CES2 (0.95) CES2CES1PTPN1ALDH1A1POLB
Ammonia Solution, Strong SCHEMBL11456969 0.81 CES2 (0.95) CES2CES1PTPN1ALDH1A1POLB
SCHEMBL11130323 0.80 CES2 (0.61) CES2CES1PTPN1ALDH1A1POLB
SCHEMBL2557664 0.80
SCHEMBL6896422 0.79 CES2 (0.81) CES2CES1PTPN1ALDH1A1POLB
Water SCHEMBL8718794 0.78 CES2 (0.58) CES2CES1PTPN1ALDH1A1POLB
SCHEMBL72637 0.77 PTPN1 (1.00) CES2CES1PTPN1ALDH1A1POLB

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
US-6007961-A Radiation-sensitive resin composition JSR CORPORATION (JP) 1999-12-28 US claimed
CN-103657631-A Catalyst and method for producing carboxylic acid and/or carboxylic anhydride in the presence of the catalyst MITSUBISHI GAS CHEMICAL CO 2014-03-26 CN disclosed
CN-101632925-B Catalyst and process for producing carboxylic acid and/or carboxylic acid anhydride using the same MITSUBISHI GAS CHEMICAL CO 2014-02-26 CN disclosed