SCHEMBL11615005

SCHEMBL11615005

COC(=O)SSc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
MGLL Q99685 1/20 0.50
TSHR P16473 2/20 0.43
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 1/20 0.40
KCNN4 O15554 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
FFAR1 O14842 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PABPC1 P11940 1/20 0.37

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
SCHEMBL11616112 0.80 HPGD (0.41) HSD17B10HPGDSMN1; SMN2MAPTTSHR
SCHEMBL10144329 0.78 TSHR (0.46) HSD17B10HPGDSMN1; SMN2MAPTMGLL
SCHEMBL19401304 0.78 KDM4E (0.49) HSD17B10HPGDSMN1; SMN2TSHRKMT2A
Fluoride SCHEMBL27784131 0.77 TSHR (0.45) HSD17B10HPGDSMN1; SMN2MAPTMGLL
SCHEMBL200594 0.76 HPGD (0.50) HSD17B10HPGDSMN1; SMN2MAPTMGLL
SCHEMBL3766616 0.75 HPGD (0.55) HSD17B10HPGDSMN1; SMN2MAPTMGLL
SCHEMBL11874395 0.73 HPGD (0.52) HSD17B10HPGDSMN1; SMN2MAPTMGLL
Urea SCHEMBL27863158 0.72 HPGD (0.67) HSD17B10HPGDSMN1; SMN2MAPTMGLL
SCHEMBL10862913 0.72 SMN1; SMN2 (0.43) HSD17B10HPGDSMN1; SMN2MAPTMGLL
SCHEMBL28144870 0.71 MAPT (0.50) HSD17B10HPGDSMN1; SMN2MAPTMGLL

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-4085094-A SULFENYLTHIOCARBONATES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-04-18 US disclosed