SCHEMBL7044069

SCHEMBL7044069

CCc1ccc2c(c1)Cc1cc(CC)ccc1[S+]2[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SRD5A1 P18405 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CA2 P00918 1/20 0.31
KIF11 P52732 1/20 0.30
MAPK10 P53779 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL166962 0.92 CYP1A2 (0.38) TRPA1CYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL11632501 0.83 CYP2A6 (0.42) TRPA1CYP2A6ALDH1A1KDM4E
SCHEMBL215978 0.82 SLC6A2 (0.31) CYP1A2CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL11632026 0.82 ALDH1A1 (0.44) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL6860681 0.81 CYP1A2 (0.38) TRPA1CYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL4379538 0.79 HTR2A (0.39) SLC6A2SLC6A4ALDH1A1CA2
SCHEMBL2315229 0.78 KDM4E (0.41) ALDH1A1MAPTKDM4ECA2
SCHEMBL11053479 0.76 HTR2A (0.46) SLC6A2SLC6A4SMN1; SMN2CA2
SCHEMBL11633508 0.76
SCHEMBL11049835 0.75 HTR2A (0.51) SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0962826-A1 A positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-08 EP claimed
US-6815140-B2 COMPRISING A NOVOLAC RESIN, A RADIATION-SENSITIVE QUINONEDIAZIDE COMPOUND, AND ALSO A THIOXANTHONE COMPOUND TO IMPROVE RESOLUTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-09 US disclosed
EP-0962826-A1 A positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-08 EP disclosed