SCHEMBL11070093

SCHEMBL11070093

O=C(O)CC(Cc1ccco1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 3/20 0.56
CPB1 P15086 1/20 0.56
CPA3 P15088 1/20 0.56
CPB2 Q96IY4 1/20 0.56
MIF P14174 1/20 0.47
FOLH1 Q04609 2/20 0.46
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
PKM P14618 2/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN7 P35236 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 1/20 0.41
APEX1 P27695 1/20 0.40

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
SCHEMBL30401703 0.87 CYP2C19 (0.50) CPA1CPB1CPA3CPB2MIF
SCHEMBL28358733 0.87 ALDH1A1 (0.46) CPA1CPB1CPA3CPB2MIF
SCHEMBL6379939 0.83 ALDH1A1 (0.43) SLC1A3SLC1A2SLC1A1PKMPOLB
SCHEMBL22982167 0.83 FOLH1 (0.56) CPA3FOLH1SLC1A3SLC1A2SLC1A1
SCHEMBL3931357 0.83 NR4A2 (0.47) SLC1A3SLC1A2SLC1A1PKMPOLB
SCHEMBL2026261 0.80 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1PKMPOLB
SCHEMBL1532410 0.80 TDP1 (0.47) CPA3SLC1A3SLC1A2SLC1A1PKM
SCHEMBL11232248 0.80 SLC1A3 (0.50) MIFSLC1A3SLC1A2SLC1A1PKM
SCHEMBL1914911 0.79 CTSS (0.49) CPA1CPB1CPA3CPB2SLC1A3
SCHEMBL6376057 0.79 CTSS (0.49) CPA1CPB1CPA3CPB2SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE31670-E ADHESIVES; COATINGS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-09-11 US disclosed
US-4273909-A One-part solvent-free thermosettable blocked prepolymer composition containing a diene, together with chain extender, chain terminator and a dienophile MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-06-16 US disclosed