SCHEMBL9864225

SCHEMBL9864225

NC(=O)OC(S)C(S)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 1/20 0.40
PARP1 P09874 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL1507901 0.80 CYP2D6 (0.48) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL29816355 0.75 CYP2D6 (0.52) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL5306707 0.75 CYP2D6 (0.52) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL1955 0.75 ESR1 (0.53) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL9389474 0.74 ESR1 (0.52) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL2575993 0.74 CYP2D6 (0.50) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL446690 0.74 CYP2D6 (0.50) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL286892 0.73 CYP2D6 (0.46) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL8383370 0.72 DPP4 (0.46) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL264866 0.72 HCAR2 (0.58) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1

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-0427624-A1 Thermoplastic elastomer based on polynorbornene and polyvinyl chloride ELF ATOCHEM S.A. (FR) 1991-05-15 EP disclosed
EP-0384822-A1 Thermoplastic elastomer made of ethylene/alpha-olefin copolymer and polynorbornene ELF ATOCHEM S.A. (FR) 1990-08-29 EP disclosed