SCHEMBL9620307

SCHEMBL9620307

CCCCCCCCCCCC(O)C(O)(C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.42
GPR84 Q9NQS5 7/20 0.42
FFAR1 O14842 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NAAA Q02083 2/20 0.41
CNR2 P34972 1/20 0.41
PRSS1 P07477 2/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40
HSPD1 P10809 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 1/20 0.40
ASAH1 Q13510 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40

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
SCHEMBL8662900 1.00 CSNK1E (0.42) CSNK1EGPR84FFAR1ALDH1A1NAAA
SCHEMBL9620415 1.00 CSNK1E (0.42) CSNK1EGPR84FFAR1ALDH1A1NAAA
SCHEMBL8666513 1.00 CSNK1E (0.42) CSNK1EGPR84FFAR1ALDH1A1NAAA
SCHEMBL10521428 0.83 GPR84 (0.43) CSNK1EGPR84FFAR1ALDH1A1NAAA
SCHEMBL10521419 0.82 MEN1 (0.43) ALDH1A1NAAACNR2ASAH1
SCHEMBL9781115 0.82 PRSS1 (0.43) CSNK1EGPR84FFAR1ALDH1A1NAAA
SCHEMBL27314978 0.80 GRIN1 (0.45)
SCHEMBL1359197 0.80 CNR2 (0.42) ALDH1A1CNR2PRSS1CTSGCTRB1
SCHEMBL11411634 0.79 MEN1 (0.45) CSNK1EALDH1A1CNR2PRSS1CTSG
Stearic Acid SCHEMBL28692469 0.77 CYSLTR2 (0.49) GPR84FFAR1ALDH1A1

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