SCHEMBL2597746

SCHEMBL2597746

Cc1cc(C(C)C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.58
AKR1C2 P52895 13/20 0.58
TSHR P16473 2/20 0.57
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
CDC42 P60953 1/20 0.43
RAC1 P63000 1/20 0.43

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
SCHEMBL2597745 1.00 AKR1C3 (0.58) AKR1C3AKR1C2TSHRMAPTALDH1A1
SCHEMBL31212652 0.87 TSHR (0.57) AKR1C3AKR1C2TSHRMAPTALDH1A1
SCHEMBL2597759 0.85 TSHR (0.58) AKR1C3AKR1C2TSHRMAPTALDH1A1
SCHEMBL2597758 0.85 TSHR (0.58) AKR1C3AKR1C2TSHRMAPTALDH1A1
SCHEMBL4142382 0.84 GRM8 (0.50) AKR1C3AKR1C2TSHRPTGS1PTGS2
SCHEMBL5948037 0.83 AKR1C3 (0.59) AKR1C3AKR1C2TSHRMAPTMEN1
SCHEMBL30192831 0.83 AKR1C3 (0.59) AKR1C3AKR1C2TSHRMAPTMEN1
SCHEMBL5948033 0.83 AKR1C3 (0.59) AKR1C3AKR1C2TSHRMAPTMEN1
SCHEMBL29231640 0.83 AKR1C3 (0.59) AKR1C3AKR1C2TSHRMAPTMEN1
SCHEMBL27297826 0.83 AKR1C3 (0.47) AKR1C3AKR1C2TSHRMEN1KMT2A

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
WO-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 WO disclosed