SCHEMBL9720433

SCHEMBL9720433

COP(=S)(OC)Oc1scc(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9510309 0.73
SCHEMBL11775345 0.70
SCHEMBL669124 0.64 ADRA2A (0.34) MEN1KMT2ATDP1
SCHEMBL11798736 0.62 ALDH1A1 (0.34) ALDH1A1HSD17B10MAPK1
SCHEMBL9511340 0.62 NR5A1 (0.38) ALDH1A1CYP3A4TSHRTP53THRB
SCHEMBL1364962 0.60 ALDH1A1 (0.38) ALDH1A1CYP3A4HSD17B10TSHRLMNA
SCHEMBL3137968 0.60 ELANE (0.36) ALDH1A1KMT2A
SCHEMBL12799246 0.60 ALDH1A1 (0.67) ALDH1A1CYP3A4HSD17B10TSHRLMNA
SCHEMBL12558192 0.60 CYP3A4 (0.56) ALDH1A1CYP3A4HSD17B10TSHRLMNA
SCHEMBL4876654 0.58 ALDH1A1 (0.63) ALDH1A1CYP3A4HSD17B10TSHRLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196463-B1 MACROEMULSIONS BAYER AG (DE) 1989-11-15 EP claimed
US-4195083-A Veterinary compositions and method for controlling anthropod ectoparasites EMBY GORDON N (ZA) 1980-03-25 US claimed
US-5164179-A Ammonium salt fo anionic oligomer or polymer KAO CORPORATION (JP) 1992-11-17 US disclosed
US-4889719-A IN POLYUREA SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1989-12-26 US disclosed