SCHEMBL28205461

SCHEMBL28205461

CCCCCCCC(OC(=O)c1ccccc1)c1ccc(S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.43
UTS2R Q9UKP6 1/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
CTSK P43235 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
NR1I2 O75469 1/20 0.40
PTGS2 P35354 1/20 0.39
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL28204939 0.90 L3MBTL1 (0.48) L3MBTL1ALDH1A1UTS2RSIGMAR1CHRM2
SCHEMBL9341086 0.87 ALDH1A1 (0.50) ALDH1A1UTS2RCES2CES1CTSK
SCHEMBL2455385 0.86 ALDH1A1 (0.48) ALDH1A1UTS2RCES2CES1CTSK
SCHEMBL10627651 0.82 ALOX5 (0.44) L3MBTL1ALDH1A1UTS2RCES2CES1
SCHEMBL28121710 0.82 ALDH1A1 (0.43) ALDH1A1UTS2RCES2CES1CTSK
SCHEMBL28637211 0.79 UTS2R (0.51) ALDH1A1UTS2RSIGMAR1MEN1KMT2A
SCHEMBL10627646 0.79 ALDH1A1 (0.41) ALDH1A1UTS2RCES2CES1CTSK
SCHEMBL10620401 0.77 TP53 (0.53)
SCHEMBL3870495 0.76 S1PR3 (0.45) CTRCALDH1A1NR1I2
SCHEMBL27399397 0.76 UTS2R (0.50) ALDH1A1UTS2RMEN1KMT2A

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
CN-110275390-A Photosensitive composition, colour filter and the image display device for having it 东友精细化工有限公司 2019-09-24 CN disclosed
CN-103365080-B Photosensitive composition 住友化学株式会社 2019-04-26 CN disclosed
CN-107848947-A Fluorochemical, living polymerization initiator, fluoropolymer, the manufacture method of fluoropolymer and anti-corrosion agent composition DIC株式会社 2018-03-27 CN disclosed