SCHEMBL5804176

SCHEMBL5804176

CC(C(=O)O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
LMNA P02545 4/20 0.48
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
PPARG P37231 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
RORC P51449 1/20 0.46

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
SCHEMBL10789270 0.83 HSD17B10 (0.53) HSD17B10KMT2AMEN1LMNAGAA
SCHEMBL19862412 0.82 HSD17B10 (0.56) HSD17B10KMT2AMEN1LMNAGAA
SCHEMBL17125223 0.82 HSD17B10 (0.60) HSD17B10KMT2AMEN1LMNATSHR
SCHEMBL10914645 0.81 AKR1C3 (0.52) KMT2AMEN1LMNAGAAMAPT
SCHEMBL4658268 0.81 LMNA (0.48) HSD17B10KMT2AMEN1LMNAGAA
SCHEMBL3584977 0.79 ALDH1A1 (0.50) KMT2AMEN1LMNAMAPTTP53
SCHEMBL3584980 0.79 ALDH1A1 (0.50) KMT2AMEN1LMNAMAPTTP53
SCHEMBL2130850 0.79 ALDH1A1 (0.50) KMT2AMEN1LMNAMAPTTP53
SCHEMBL17165018 0.79 ALDH1A1 (0.50) KMT2AMEN1LMNAMAPTTP53
SCHEMBL17165030 0.79 MEN1 (0.55) KMT2AMEN1LMNAGAAMAPT

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
WO-2006079857-A1 DIARYL ACETIC ACID DERIVATIVES AND THE PREPARATION THEREOF SANOFI-AVENTIS (FR) 2006-08-03 WO disclosed
EP-0056144-A1 Carboxylic acid derivatives, their preparation and use as pharmaceuticals Dr. Karl Thomae GmbH (DE) 1982-07-21 EP disclosed