SCHEMBL9864220

SCHEMBL9864220

CC(SSOC(N)=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 1/20 0.38
APAF1 O14727 1/20 0.37
LMNA P02545 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NOS2 P35228 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL23174622 0.76 CYP2D6 (0.39) ALOX5CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL775627 0.72 KMT2A (0.45) CYP1A2CYP2D6KMT2ALMNAADRA2A
SCHEMBL8768557 0.71 KMT2A (0.42) ALOX5CYP2D6KMT2ALMNAHCAR2
SCHEMBL30295822 0.69 CYP3A4 (0.43) ALOX5CYP2D6KMT2ALMNAHCAR2
SCHEMBL27820414 0.68 HCAR2 (0.58) ALOX5CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL264866 0.68 HCAR2 (0.58) ALOX5CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL6478149 0.68 HCAR2 (0.58) ALOX5CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL1318931 0.68 HSD17B10 (0.44) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
Isopropylbenzene SCHEMBL27580133 0.68 KMT2A (0.53) ALOX5CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL5956415 0.68 HCAR2 (0.58) ALOX5CYP1A2CYP2D6PKMSMN1; SMN2

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