SCHEMBL28295849

SCHEMBL28295849

CCCCCCCCC(C)CCCCC(CCCCCCCC)COC(=O)c1ccccc1C(=O)OCC(CCCCCCCC)CCCCC(C)CCCCCCCC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.80
PRSS2 P07478 1/20 0.80
PRSS3 P35030 1/20 0.80
ALDH1A1 P00352 10/20 0.70
CYP3A4 P08684 5/20 0.70
CA2 P00918 1/20 0.70
LMNA P02545 4/20 0.60
TSHR P16473 7/20 0.57
MAPK1 P28482 3/20 0.55
TP53 P04637 1/20 0.55
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
ACE2 Q9BYF1 1/20 0.43
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 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
SCHEMBL28256770 0.94 PRSS1 (0.89) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL3221063 0.93 PRSS1 (0.86) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL30863762 0.93 PRSS1 (0.86) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL28270019 0.92 PRSS1 (0.84) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL30849898 0.92 PRSS1 (0.84) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL28205289 0.90 PRSS1 (0.92) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL434343 0.90 PRSS1 (0.81) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL29439073 0.90 PRSS1 (0.81) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL3680561 0.90 PRSS1 (0.72) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL9620202 0.90 PRSS1 (0.72) PRSS1PRSS2PRSS3ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641873-A N- (pyridine -2- base) pyridine-sulfamide derivative and its purposes for disease treatment 诺华股份有限公司 2019-04-16 CN disclosed