SCHEMBL2240785

SCHEMBL2240785

C=CC(=O)SC(C)c1ccc(C(C)SC(=O)C=C)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.34
TGM2 P21980 4/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
PTGS2 P35354 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31
ACACB O00763 1/20 0.31
TYR P14679 1/20 0.30
AKT1 P31749 1/20 0.30
FYN P06241 1/20 0.30
SRC P12931 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
SCHEMBL9817188 0.90 CYP2C19 (0.41) CYP2C19TGM2MAPK1AKT1SRC
SCHEMBL12227590 0.72
SCHEMBL10748377 0.71 SSTR4 (0.41) CYP2C19
SCHEMBL23633101 0.70
SCHEMBL13121494 0.70
SCHEMBL179807 0.69
SCHEMBL5742241 0.67 TSHR (0.34) TSHR
SCHEMBL5319769 0.67 LMNA (0.35) KDM4ETSHR
SCHEMBL11850898 0.65 BRD4 (0.46) RAB9ASMN1; SMN2TSHR
SCHEMBL1963300 0.65 BRD4 (0.50) NPC1RAB9ASMN1; SMN2TSHR

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
US-RE46357-E1 Photochromic film, photochromic lens comprising the same, and method of manufacturing photochromic lens HOYA CORPORATION (JP) 2017-04-04 US disclosed
US-7999989-B2 Photochromic film, photochromic lens comprising the same, and method of manufacturing photochromic lens HOYA CORPORATION (JP) 2011-08-16 US disclosed
US-20090316246-A1 PHOTOCHROMIC FILM, PHOTOCHROMIC LENS COMPRISING THE SAME, AND METHOD OF MANUFACTURING PHOTOCHROMIC LENS HOYA CORPORATION (JP) 2009-12-24 US disclosed