SCHEMBL25633652

SCHEMBL25633652

CCCCCCCCCCCCC(CCCCCCCCCC)COC(=O)c1cc(C(=O)OCC(CCCCCCCCCC)CCCCCCCCCCCC)c(C(=O)OCC(CCCCCCCCCC)CCCCCCCCCCCC)cc1C(=O)OCC(CCCCCCCCCC)CCCCCCCCCCCC

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.68
PRSS2 P07478 1/20 0.68
PRSS3 P35030 1/20 0.68
ALDH1A1 P00352 5/20 0.59
TSHR P16473 4/20 0.59
MAPK1 P28482 2/20 0.59
CYP3A4 P08684 4/20 0.59
CA2 P00918 1/20 0.59
LMNA P02545 4/20 0.54
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.44
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ZDHHC7 Q9NXF8 1/20 0.41

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
SCHEMBL25633666 1.00 PRSS1 (0.68) PRSS1PRSS2PRSS3ALDH1A1TSHR
SCHEMBL25633681 1.00 PRSS1 (0.68) PRSS1PRSS2PRSS3ALDH1A1TSHR
SCHEMBL31285744 0.95 PRSS1 (0.62) PRSS1PRSS2PRSS3ALDH1A1TSHR
SCHEMBL1417231 0.94 PRSS1 (0.62) PRSS1PRSS2PRSS3ALDH1A1TSHR
SCHEMBL31285557 0.90 PRSS1 (0.57) PRSS1PRSS2PRSS3ALDH1A1TSHR
SCHEMBL31285556 0.90 PRSS1 (0.57) PRSS1PRSS2PRSS3ALDH1A1TSHR
SCHEMBL25633648 0.89 PRSS1 (0.56) PRSS1PRSS2PRSS3ALDH1A1TSHR
SCHEMBL25633660 0.89 PRSS1 (0.56) PRSS1PRSS2PRSS3ALDH1A1TSHR
SCHEMBL28256770 0.87 PRSS1 (0.89) PRSS1PRSS2PRSS3ALDH1A1TSHR
SCHEMBL9355623 0.87 ALDH1A1 (0.81) PRSS1PRSS2PRSS3ALDH1A1TSHR

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
WO-2023111706-A1 COMPOSITIONS FOR USE IN LOW SURFACE-ENERGY APPLICATIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-06-22 WO disclosed