SCHEMBL28429697

SCHEMBL28429697

CCCCCCCCCCC(OC(=O)c1ccccc1C(=O)O)C(CC)CCCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
CYP3A4 P08684 3/20 0.47
CA2 P00918 1/20 0.47
TSHR P16473 5/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PTPN11 Q06124 2/20 0.40
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PLK1 P53350 2/20 0.38

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
SCHEMBL3695086 1.00 ALDH1A1 (0.67) ALDH1A1PRSS1PRSS2PRSS3CYP3A4
SCHEMBL2351531 1.00 ALDH1A1 (0.67) ALDH1A1PRSS1PRSS2PRSS3CYP3A4
SCHEMBL1789451 0.99 ALDH1A1 (0.68) ALDH1A1PRSS1PRSS2PRSS3CYP3A4
SCHEMBL2355242 0.99 ALDH1A1 (0.64) ALDH1A1PRSS1PRSS2PRSS3CYP3A4
SCHEMBL231234 0.96 ALDH1A1 (0.60) ALDH1A1PRSS1PRSS2PRSS3CYP3A4
SCHEMBL9834750 0.94 ALDH1A1 (0.71) ALDH1A1PRSS1PRSS2PRSS3CYP3A4
SCHEMBL22833304 0.94 ALDH1A1 (0.71) ALDH1A1PRSS1PRSS2PRSS3CYP3A4
SCHEMBL1789449 0.94 ALDH1A1 (0.59) ALDH1A1PRSS1PRSS2PRSS3CYP3A4
SCHEMBL6406071 0.92 ALDH1A1 (0.59) ALDH1A1PRSS1PRSS2PRSS3CYP3A4
SCHEMBL4424153 0.91 ALDH1A1 (0.60) ALDH1A1PRSS1PRSS2PRSS3CYP3A4

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-106610567-B Method for producing a layer structure and method for forming a pattern 三星SDI株式会社 2020-08-04 CN disclosed