SCHEMBL9861581

SCHEMBL9861581

CCCCCC(=O)c1ccc(C(C)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.60
HTR7 P34969 1/20 0.51
USP5 P45974 1/20 0.50
STS P08842 4/20 0.48
PTGS1 P23219 3/20 0.47
PTGS2 P35354 3/20 0.47
LMNA P02545 2/20 0.47
CYP2C9 P11712 2/20 0.47
AKR1C3 P42330 2/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
ALB P02768 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX5 P09917 1/20 0.47
RARB P10826 1/20 0.47
ADRB3 P13945 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR2A P28223 1/20 0.47
NR1I3 Q14994 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47

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
SCHEMBL30871980 0.85 HSD17B3 (0.66) HSD17B3HTR7USP5STS
SCHEMBL11216812 0.84 USP5 (0.47) HSD17B3USP5PTGS1PTGS2LMNA
SCHEMBL9715774 0.84 PTGS2 (0.45) HSD17B3PTGS1PTGS2LMNACYP2C9
SCHEMBL3671743 0.84 USP5 (0.50) USP5PTGS1PTGS2LMNACYP2C9
SCHEMBL18753070 0.82 HSD17B3 (0.84) HSD17B3HTR7STSLMNA
SCHEMBL11428105 0.82 HSD17B3 (0.56) HSD17B3HTR7STS
SCHEMBL8501819 0.81 HSD17B3 (0.63) HSD17B3HTR7USP5STS
SCHEMBL13144201 0.81 HSD17B3 (0.63) HSD17B3HTR7USP5STSLMNA
SCHEMBL28523316 0.81 HSD17B3 (0.60) HSD17B3HTR7USP5STS
SCHEMBL13085847 0.80 HSD17B3 (0.85) HSD17B3HTR7STSLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240665-B1 PROCESS FOR REFINING 2-(ARYL SUBSTITUTED) PROPIONIC ACID OR ITS SALTS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-05-29 EP claimed
EP-0232863-B1 PROCESS FOR PRODUCING AN (ARYL SUBSTITUTED) CARBOXYLIC ACID OR ITS SALT NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-09-26 EP claimed
US-4814494-A OXIDATION, HYDROGENATION NIPPON PETROCHEMICALS COMPANY, LTD. (JP) 1989-03-21 US claimed
US-4709089-A DEHALOGENATION NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1987-11-24 US claimed
EP-0240665-A1 Process for refining 2-(aryl substituted) propionic acid or its salts NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1987-10-14 EP claimed
EP-0232863-A1 Process for producing an (aryl substituted) carboxylic acid or its salt NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1987-08-19 EP claimed
EP-0240665-B1 PROCESS FOR REFINING 2-(ARYL SUBSTITUTED) PROPIONIC ACID OR ITS SALTS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-05-29 EP disclosed
EP-0232863-B1 PROCESS FOR PRODUCING AN (ARYL SUBSTITUTED) CARBOXYLIC ACID OR ITS SALT NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-09-26 EP disclosed
US-4814494-A OXIDATION, HYDROGENATION NIPPON PETROCHEMICALS COMPANY, LTD. (JP) 1989-03-21 US disclosed
US-4709089-A DEHALOGENATION NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1987-11-24 US disclosed
EP-0240665-A1 Process for refining 2-(aryl substituted) propionic acid or its salts NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1987-10-14 EP disclosed
EP-0232863-A1 Process for producing an (aryl substituted) carboxylic acid or its salt NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1987-08-19 EP disclosed