SCHEMBL732696

SCHEMBL732696

CC(C(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
MEN1 O00255 2/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RECQL P46063 1/20 0.53
VCAM1 P19320 3/20 0.53
GRM8 O00222 1/20 0.51
GRM6 O15303 1/20 0.51
GRM4 Q14833 1/20 0.51
AKR1C3 P42330 6/20 0.50
AKR1C2 P52895 6/20 0.50
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49

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
SCHEMBL732695 1.00 MAPT (0.53) MAPTMEN1HTTKMT2ACYP1A2
SCHEMBL8579653 1.00 MAPT (0.53) MAPTMEN1HTTKMT2ACYP1A2
SCHEMBL2942139 0.88 TSHR (0.50) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL2942137 0.88 TSHR (0.50) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL11460934 0.86 VCAM1 (0.51) MAPTMEN1HTTKMT2ACYP1A2
SCHEMBL732920 0.84 MAPT (0.50) MAPTMEN1HTTKMT2ACYP1A2
SCHEMBL730853 0.83 GRM8 (0.55) MAPTMEN1HTTKMT2ACYP1A2
SCHEMBL4072082 0.83 GRM8 (0.55) MAPTMEN1HTTKMT2ACYP1A2
SCHEMBL18458413 0.83 ALDH1A1 (0.49) MEN1KMT2ACYP1A2CYP2D6AKR1C3
SCHEMBL286995 0.83 GRM8 (0.50) MAPTKMT2ACYP2C19GRM8GRM6

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
US-8138335-B2 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD (JP) 2012-03-20 US disclosed