SCHEMBL11225271

SCHEMBL11225271

CCOC(=O)c1c(C)cc(C(=O)O)c([N+](=O)[O-])c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 3/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
GALR2 O43603 1/20 0.41
MITF O75030 1/20 0.41
HSP90AA1 P07900 1/20 0.41
XBP1 P17861 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
AKR1B1 P15121 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
SCHEMBL5988108 0.85 CYP3A4 (0.47) MAPTALDH1A1SMN1; SMN2CYP3A4TDP1
SCHEMBL2299148 0.84 PKM (0.50) MAPTALDH1A1SMN1; SMN2CYP3A4TDP1
SCHEMBL561310 0.84 PKM (0.50) MAPTALDH1A1SMN1; SMN2CYP3A4TDP1
SCHEMBL7379340 0.81 CYP3A4 (0.51) MAPTALDH1A1SMN1; SMN2CYP3A4TDP1
SCHEMBL6679640 0.79 CYP3A4 (0.50) MAPTALDH1A1SMN1; SMN2CYP3A4TDP1
SCHEMBL11378236 0.77 CYP3A4 (0.47) MAPTALDH1A1SMN1; SMN2CYP3A4TDP1
SCHEMBL844688 0.75 CYP3A4 (0.47) MAPTALDH1A1SMN1; SMN2CYP3A4TDP1
SCHEMBL2428983 0.74 SMN1; SMN2 (0.46) MAPTALDH1A1SMN1; SMN2CYP3A4TDP1
SCHEMBL10381810 0.74 TSHR (0.44) MAPTALDH1A1CYP3A4TDP1PKM
SCHEMBL1403473 0.74 TSHR (0.44) MAPTALDH1A1CYP3A4TDP1PKM

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
JP-57154149-A None JP disclosed
JP-S57154149-A NOVEL O-NITROBENZOIC ACID DERIVATIVE AND ITS PREPARATION ISHIKAWA MASAYUKI 1982-09-22 JP disclosed