SCHEMBL11370599

SCHEMBL11370599

CCSCc1ccccc1OC(=O)N(C)SN(C)C(=O)Oc1ccccc1CSCC

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
NCEH1 Q6PIU2 8/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL11590123 0.94 TSHR (0.41) TSHRNCEH1THRATHRBHSD17B10
SCHEMBL10483081 0.92 TSHR (0.38) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10662827 0.82 TSHR (0.34) TSHRNCEH1HSD17B10ALDH1A1LMNA
SCHEMBL11562192 0.81 TSHR (0.39) TSHRNCEH1HSD17B10ALDH1A1LMNA
Ethiofencarb SCHEMBL74938 0.79 ALDH1A1 (0.49) TSHRTHRATHRBHSD17B10ALDH1A1
Ethiofencarb SCHEMBL6738022 0.79 ALDH1A1 (0.49) TSHRTHRATHRBHSD17B10ALDH1A1
Ethiofencarb SCHEMBL29449861 0.79 ALDH1A1 (0.49) TSHRTHRATHRBHSD17B10ALDH1A1
SCHEMBL11373035 0.79 TSHR (0.42) TSHRNCEH1THRATHRBHSD17B10
SCHEMBL11191166 0.78 CYP3A4 (0.37) ALDH1A1MAPTRAB9A
Ethiofencarb SCHEMBL7528780 0.76 ALDH1A1 (0.46) TSHRHSD17B10ALDH1A1LMNAMAPT

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-4264625-A INSECTICIDES, MITICIDES, NEMATOCIDES UNION CARBIDE CORPORATION (US) 1981-04-28 US disclosed