SCHEMBL11839331

SCHEMBL11839331

CC(Oc1ccc(Cl)cc1Oc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
HTR2B P41595 1/20 0.62
KMT2A Q03164 1/20 0.53
PTGDR2 Q9Y5Y4 2/20 0.52
PTGDR Q13258 1/20 0.52
PPARA Q07869 5/20 0.50
PPARG P37231 4/20 0.50
PPARD Q03181 4/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
TSPO P30536 1/20 0.48
FFAR1 O14842 1/20 0.46
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
TTR P02766 1/20 0.44

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
Hydrochloric Acid SCHEMBL11841325 0.99 TSHR (0.61) TSHRHTR2AHTR2CHTR2BKMT2A
SCHEMBL1332277 0.93 TSHR (0.64) TSHRHTR2AHTR2CHTR2BKMT2A
SCHEMBL11839319 0.85 KMT2A (0.59) TSHRHTR2AHTR2CHTR2BKMT2A
SCHEMBL1332126 0.84 TSHR (0.54) TSHRHTR2AHTR2CHTR2BPTGDR2
Hydrochloric Acid SCHEMBL11841321 0.84 KMT2A (0.58) TSHRHTR2AHTR2CHTR2BKMT2A
SCHEMBL1332012 0.83 TSHR (0.53) TSHRHTR2AHTR2CHTR2BKMT2A
SCHEMBL1538036 0.83 KMT2A (0.69) TSHRHTR2AHTR2CHTR2BKMT2A
SCHEMBL1332765 0.82 TSHR (0.55) TSHRHTR2AHTR2CHTR2BKMT2A
SCHEMBL4179059 0.82 TSHR (0.61) TSHRHTR2AHTR2CHTR2BKMT2A
SCHEMBL28483915 0.82 KMT2A (0.67) TSHRHTR2AHTR2CHTR2BKMT2A

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-3992543-A (Pyridyl-3)-methyl 2-(p-chlorophenoxy-phenoxy) propionate and use as a hypolipemising drug POLI INDUSTRIA CHIMICA S.P.A. (IT) 1976-11-16 US disclosed