SCHEMBL14997449

SCHEMBL14997449

O=NC(=O)Cc1cc(CC(=O)O)cc(CC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.44
HPGD P15428 4/20 0.42
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 2/20 0.42
RGS12 O14924 1/20 0.42
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
GNAI1 P63096 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 2/20 0.41
CAMK2A Q9UQM7 1/20 0.41

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
SCHEMBL14997451 0.86 CA2 (0.58) AKR1B1HPGDHSD17B10KDM4EMAPT
SCHEMBL583915 0.83 AKR1B1 (0.60) AKR1B1HPGDHSD17B10KDM4EMAPT
SCHEMBL21273844 0.76 CA2 (0.50) AKR1B1HPGDHSD17B10KDM4EMAPT
SCHEMBL16502080 0.76 CES2 (0.39) MEN1KMT2A
SCHEMBL14511356 0.75 AKR1B1 (0.52) AKR1B1HPGDHSD17B10KDM4EMAPT
SCHEMBL7832793 0.74 CES1 (0.58) AKR1B1MAPTLMNAGAATSHR
SCHEMBL20978962 0.72 GPR84 (0.66) HPGDHSD17B10ALDH1A1PPARG
SCHEMBL24197592 0.71 THRB (0.50) AKR1B1HPGDHSD17B10KDM4EMAPT
SCHEMBL20634078 0.71 CA2 (0.48) AKR1B1HPGDHSD17B10KDM4EMAPT
SCHEMBL6491963 0.71 THRB (0.50) AKR1B1HPGDHSD17B10KDM4EMAPT

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
EP-2599814-A1 COMPOUND, RADIATION-SENSITIVE COMPOSITION, AND METHOD FOR FORMING RESIST PATTERN Mitsubishi Gas Chemical Company, Inc. (JP) 2013-06-05 EP disclosed