SCHEMBL9487387

SCHEMBL9487387

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.77
HTR2A P28223 1/20 0.77
HTR2C P28335 1/20 0.77
HTR2B P41595 1/20 0.77
SMN1; SMN2 Q16637 7/20 0.62
LMNA P02545 5/20 0.62
MAPT P10636 4/20 0.62
HTT P42858 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
ALOX12 P18054 2/20 0.62
TRPM4 Q8TD43 1/20 0.58
TDP1 Q9NUW8 2/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPK1 P28482 1/20 0.49
POLB P06746 2/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49

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
Mecoprop SCHEMBL29426474 0.87 TSHR (1.00) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
Mecoprop SCHEMBL11349605 0.87 TSHR (1.00) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
Mecoprop SCHEMBL7762943 0.87 TSHR (1.00) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
Mecoprop SCHEMBL9068516 0.87 TSHR (1.00) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL13092106 0.87 TSHR (0.77) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL10175808 0.87 TSHR (0.77) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
Mecoprop-P SCHEMBL29817687 0.87 TSHR (1.00) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
Mecoprop-P SCHEMBL572351 0.87 TSHR (1.00) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
Mecoprop SCHEMBL54983 0.87 TSHR (1.00) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
Mecoprop SCHEMBL53198 0.87 TSHR (1.00) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0262393-B1 DERIVATIVES OF ARYLOXYCARBONIC ACIDS, THEIR PREPARATION AND THEIR USE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-01-07 EP disclosed
CN-1019485-B ARYLCARBOXYLIC ACID DERIVATIVE, PREPARATION AND USE THEREOF SHELL AGRAR GMBH & CO KG (DE) 1992-12-16 CN disclosed
EP-0437640-A1 Fungicidal amino-thiocarboxylic acid amides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-07-24 EP disclosed
EP-0262393-A1 Derivatives of aryloxycarbonic acids, their preparation and their use SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-04-06 EP disclosed
CN-87106006-A The preparation method of arylcarboxylic acid derivative and application 1988-03-16 CN disclosed
US-4645845-A Novel optically active chroman derivatives, their preparation and novel intermediates BASF AKTIENGESELLSCHAFT (DE) 1987-02-24 US disclosed
US-4067726-A 3-Ureido phenylacetamide herbicides BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed