SCHEMBL31039999

SCHEMBL31039999

CCCCC(CC)OC(=O)c1ccccc1C(=O)OC(CC)CCCC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
CYP3A4 P08684 3/20 0.59
CA2 P00918 1/20 0.59
PRKCA P17252 2/20 0.56
PRKCD Q05655 2/20 0.56
TSHR P16473 7/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
MAPK1 P28482 3/20 0.51
TP53 P04637 1/20 0.51
LMNA P02545 2/20 0.50
CTSK P43235 3/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL13676725 1.00 ALDH1A1 (0.59) ALDH1A1CYP3A4CA2PRKCAPRKCD
SCHEMBL913893 0.95 ALDH1A1 (0.61) ALDH1A1CYP3A4CA2PRKCAPRKCD
SCHEMBL15675177 0.94 ALDH1A1 (0.64) ALDH1A1CYP3A4CA2PRKCAPRKCD
SCHEMBL9350600 0.94 ALDH1A1 (0.63) ALDH1A1CYP3A4CA2PRKCAPRKCD
SCHEMBL7909412 0.94 ALDH1A1 (0.63) ALDH1A1CYP3A4CA2PRKCAPRKCD
SCHEMBL1007039 0.94 ALDH1A1 (0.63) ALDH1A1CYP3A4CA2PRKCAPRKCD
SCHEMBL8021123 0.94 ALDH1A1 (0.63) ALDH1A1CYP3A4CA2PRKCAPRKCD
SCHEMBL4186087 0.93 ALDH1A1 (0.58) ALDH1A1CYP3A4CA2PRKCAPRKCD
SCHEMBL678739 0.90 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2PRKCAPRKCD
SCHEMBL6746695 0.90 ALDH1A1 (0.55) ALDH1A1CYP3A4CA2PRKCAPRKCD

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-115210833-B Multilayer polypropylene film for capacitor 普瑞曼聚合物株式会社 2024-08-13 CN disclosed