SCHEMBL9620178

SCHEMBL9620178

CCCCCCCCCCCCCCCCC(OCO)(C(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.42
▸ CES1 P23141 3/20 0.42
▸ GAA P10253 1/20 0.40
▸ SCN5A Q14524 3/20 0.39
▸ SCN9A Q15858 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CETP P11597 3/20 0.38
▸ NAAA Q02083 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36

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
SCHEMBL9620365 1.00 CES2 (0.42) CES2CES1GAASCN5ASCN9A
SCHEMBL9716391 1.00 CES2 (0.42) CES2CES1GAASCN5ASCN9A
SCHEMBL3729771 0.78 LMNA (0.46) CES2CES1GAATSHRALDH1A1
SCHEMBL10944011 0.77 CES2 (0.42) CES2CES1GAASCN5ASCN9A
SCHEMBL11305185 0.76 ALDH1A1 (0.49) CES2CES1GAASCN5ASCN9A
SCHEMBL355604 0.76 ALDH1A1 (0.49) CES2CES1GAASCN5ASCN9A
SCHEMBL28570454 0.76 ALDH1A1 (0.49) CES2CES1GAASCN5ASCN9A
SCHEMBL5385328 0.76 ALDH1A1 (0.49) CES2CES1GAASCN5ASCN9A
SCHEMBL10869954 0.76 ALDH1A1 (0.49) CES2CES1GAASCN5ASCN9A
SCHEMBL8669218 0.75 ALDH1A1 (0.45) CES2CES1GAASCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0294649-B1 USE OF AN AQUEOUS COMPOSITION AS RUST INHIBITOR NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-02-26 — — EP disclosed
US-4888132-A ALKALI METAL SOAP OF A HYDROXY ARYL FATTY ACID NIPPON OIL AND FATS CO., LTD. (JP) 1989-12-19 — — US disclosed
EP-0294649-A1 Use of an aqueous composition as rust inhibitor NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1988-12-14 — — EP disclosed
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