SCHEMBL11296835

SCHEMBL11296835

COP(=O)(OCCC(C)(Cl)Cl)Oc1ccc(SC)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL5933784 0.78 CYP3A4 (0.47) LMNAALDH1A1ALOX15CYP3A4TSHR
SCHEMBL116422 0.74 CA1 (0.43) LMNACYP3A4TSHRMAPTNPSR1
SCHEMBL11464966 0.73 CYP3A4 (0.58) LMNAALDH1A1ALOX15CYP3A4TSHR
SCHEMBL9242550 0.69 BLM (0.39) LMNACYP3A4TSHRMAPTNPSR1
SCHEMBL9011105 0.66 CYP1A1 (0.41) LMNAALDH1A1ALOX15CYP3A4TSHR
SCHEMBL11061618 0.65 ALDH1A1 (0.57) LMNAALDH1A1ALOX15CYP3A4TSHR
SCHEMBL11766120 0.64 CYP3A4 (0.42) LMNAALDH1A1CYP3A4TSHRCYP1A1
SCHEMBL8523765 0.64 CNR2 (0.39)
SCHEMBL19904758 0.64 CYP3A4 (0.50) CYP3A4
SCHEMBL11109918 0.63 SRC (0.54) ALDH1A1CYP3A4TSHRCYP1A1CYP1A2

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-0024649-B1 2,2-DICHLOROCYCLOPROPYL-METHYL-PHOSPHORIC ACID DERIVATIVES, PROCESS FOR PREPARING THEM AND THEIR USE IN COMBATING PESTS BASF Aktiengesellschaft (DE) 1982-08-11 EP claimed
US-4296108-A PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1981-10-20 US claimed