SCHEMBL9501814

SCHEMBL9501814

Cc1cc(Cl)cc(Cl)c1OC(C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
HTR2B P41595 1/20 0.58
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.39
PTGDR Q13258 1/20 0.39
SCN4A P35499 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL7433742 0.90 TSHR (0.51) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL11426952 0.83 TSHR (0.54) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL11426211 0.83 TSHR (0.54) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL2557590 0.80 ERN1 (0.45) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL10358882 0.79 SCN4A (0.42) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL14989117 0.77 TDP1 (0.55) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL15122376 0.77 TDP1 (0.55) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL14988796 0.77 TDP1 (0.55) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL9500663 0.77 TSHR (0.50) TSHRHTR2AHTR2CHTR2BTDP1
Rac-Dichlorprop SCHEMBL1496084 0.75 TSHR (0.88) TSHRHTR2AHTR2CHTR2BKDM4E

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
EP-0539462-A1 A METHOD FOR PREPARING 4-CHLORO-2-METHYLPHENOXYALKANOIC ACIDS KVK AGRO A/S (DK) 1993-05-05 EP disclosed
WO-1992001663-A1 A METHOD FOR PREPARING 4-CHLORO-2-METHYLPHENOXYALKANOIC ACIDS KVK AGRO A/S (DK) 1992-02-06 WO disclosed