SCHEMBL5802176

SCHEMBL5802176

CC(CC(=O)O)(c1cc(C(=O)O)ccc1Cl)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
TSHR P16473 3/20 0.44
CASP6 P55212 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
HCAR3 P49019 3/20 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
SCHEMBL5802841 0.87 HTT (0.38) POLBTSHRMEN1KMT2AMAPT
SCHEMBL5803635 0.83 TSHR (0.47) POLBTSHRCASP6MEN1KMT2A
SCHEMBL5803638 0.83 TSHR (0.47) POLBTSHRCASP6MEN1KMT2A
SCHEMBL5803960 0.83 TSHR (0.47) POLBTSHRCASP6MEN1KMT2A
SCHEMBL5806329 0.83 TSHR (0.47) POLBTSHRCASP6MEN1KMT2A
SCHEMBL8261305 0.81 TSHR (0.45) POLBTSHRCASP6MEN1KMT2A
SCHEMBL5802840 0.79 TSHR (0.46) POLBTSHRCASP6MEN1KMT2A
SCHEMBL5802848 0.79 TSHR (0.46) POLBTSHRCASP6MEN1KMT2A
SCHEMBL5802842 0.79 TSHR (0.46) POLBTSHRCASP6MEN1KMT2A
SCHEMBL5802845 0.79 TSHR (0.46) POLBTSHRCASP6MEN1KMT2A

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-2006079857-A1 DIARYL ACETIC ACID DERIVATIVES AND THE PREPARATION THEREOF SANOFI-AVENTIS (FR) 2006-08-03 WO disclosed