SCHEMBL31469573

SCHEMBL31469573

CCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(OC(=O)CCCCCCCCCCCCCCCCC)C(=O)O.CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.57
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
DNM1 Q05193 1/20 0.49
PAM P19021 2/20 0.49
NAAA Q02083 1/20 0.49
HTR2C P28335 1/20 0.48
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.44
DUSP3 P51452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX2 P34913 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL582026 0.97 DGKA (0.57) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL583226 0.97 DGKA (0.57) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL20542784 0.83 DGKA (0.62) DGKAPRSS1PRSS2PRSS3DNM1
Bicarbonate SCHEMBL17076710 0.81 DGKA (0.80) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL25245209 0.80 DGKA (0.87) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL23041629 0.80 DGKA (0.87) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL25243121 0.80 DGKA (0.87) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL23042055 0.80 DGKA (0.87) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL23041315 0.80 DGKA (0.87) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL25245190 0.80 DGKA (0.87) DGKAPRSS1PRSS2PRSS3DNM1

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-2025028258-A1 COSMETIC CONTAINING NIACINAMIDE 株式会社 資生堂 2025-02-06 WO disclosed