SCHEMBL9859790

SCHEMBL9859790

COC(=O)CC(C)SSC(C)CC(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
HSD17B10 Q99714 2/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
KCNA5 P22460 4/20 0.37
MAPT P10636 3/20 0.36
RAB9A P51151 1/20 0.36
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
KMT2A Q03164 2/20 0.33
TET2 Q6N021 1/20 0.33
MEN1 O00255 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 3/20 0.32

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
SCHEMBL31065467 0.85 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL18339161 0.83
SCHEMBL3070649 0.83
SCHEMBL3070789 0.81
SCHEMBL8500054 0.79 TSHR (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL8499816 0.79 TSHR (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL8500057 0.79 TSHR (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL2575624 0.79 SMN1; SMN2 (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL10633036 0.76 TSHR (0.36) TSHRHSD17B10MGAMGAASI
SCHEMBL5077875 0.76 TSHR (0.50) TSHRHSD17B10MGAMGAASI

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
US-4085094-A SULFENYLTHIOCARBONATES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-04-18 US claimed
EP-0153127-B1 N-ARYL-3-ARYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDES, PROCESSES FOR THEIR PRODUCTION, INSECTICIDAL COMPOSITIONS CONTAINING THEM AND METHODS FOR COMBATTING INSECTS ROHM AND HAAS COMPANY (US) 1991-04-03 EP disclosed
US-4863947-A PESTICIDES, INSECTICIDES ROHM AND HAAS (US) 1989-09-05 US disclosed
US-4663341-A Insecticidal n-aryl-3-aryl-4,5-dihydro-1h-pyrazole-1-carboxamides ROHM AND HAAS COMPANY (US) 1987-05-05 US disclosed
EP-0153127-A2 N-aryl-3-aryl-4,5-dihydro-1H-pyrazole-1-carboxamides, processes for their production, insecticidal compositions containing them and methods for combatting insects ROHM AND HAAS COMPANY (US) 1985-08-28 EP disclosed
US-4229588-A FROM A MERCAPTOALKYL ESTER CONTACTED WITH A HALOGEN PHILLIPS PETROLEUM COMPANY (US) 1980-10-21 US disclosed
US-4085094-A SULFENYLTHIOCARBONATES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-04-18 US disclosed