SCHEMBL11084751

SCHEMBL11084751

Cc1c(Cl)ccc(OC(C)C(=O)Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 4/20 0.37
ALOX12 P18054 2/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL14006497 0.87 TSHR (0.43) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL10615826 0.87 TSHR (0.58) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL9292593 0.85 TSHR (0.42) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL10614819 0.84 ALDH1A1 (0.47) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL11074608 0.83 KDM4E (0.48) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL8160508 0.83 SMN1; SMN2 (0.42) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL27560928 0.79 HPGD (0.47) TSHRSMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL55118 0.77 KDM4E (0.52) TSHRHPGDLMNAKDM4EALDH1A1
SCHEMBL11082625 0.77 ALDH1A1 (0.55) TSHRHPGDLMNAKDM4EALDH1A1
SCHEMBL9403723 0.77 SMN1; SMN2 (0.40) TSHRHTR2AHTR2CHTR2BSMN1; SMN2

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-4465507-A Herbicidal acetanilides MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1984-08-14 US disclosed