SCHEMBL9718320

SCHEMBL9718320

Cc1cc(Cl)ccc1OC(C(=O)O)C(Oc1ccc(Cl)cc1Cl)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.66
HTR2A P28223 1/20 0.66
HTR2C P28335 1/20 0.66
HTR2B P41595 1/20 0.66
PPARA Q07869 1/20 0.51
TRPM4 Q8TD43 1/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALOX12 P18054 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 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
SCHEMBL28096041 0.91 PPARA (0.59) TSHRHTR2AHTR2CHTR2BPPARA
Rac-Dichlorprop SCHEMBL1496084 0.87 TSHR (0.88) TSHRHTR2AHTR2CHTR2BPPARA
SCHEMBL11712419 0.86 TSHR (0.72) TSHRHTR2AHTR2CHTR2BTRPM4
SCHEMBL11716051 0.84 SMN1; SMN2 (0.54) TSHRHTR2AHTR2CHTR2BPPARA
SCHEMBL4482051 0.82 TSHR (0.62) TSHRHTR2AHTR2CHTR2BPPARA
SCHEMBL11752192 0.81 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPPARA
SCHEMBL17780865 0.80 TSHR (0.71) TSHRHTR2AHTR2CHTR2BPPARA
Mecoprop-P SCHEMBL572351 0.80 TSHR (1.00) TSHRHTR2AHTR2CHTR2BTRPM4
Mecoprop SCHEMBL7762943 0.80 TSHR (1.00) TSHRHTR2AHTR2CHTR2BTRPM4
SCHEMBL8339820 0.80 TSHR (0.71) TSHRHTR2AHTR2CHTR2BPPARA

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-5169425-A Synergistic mixture IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-12-08 US disclosed