SCHEMBL11111891

SCHEMBL11111891

COc1ccc(CCC(=O)O)c(Cl)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43
LMNA P02545 1/20 0.42
FFAR4 Q5NUL3 3/20 0.42
FFAR1 O14842 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
STING1 Q86WV6 1/20 0.40
CLCN2 P51788 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HPGD P15428 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
SCHEMBL11706103 0.92 POLB (0.42) POLBCPT1ACPT1BLMNAFFAR4
SCHEMBL3967417 0.87 POLB (0.48) POLBCPT1ACPT1BLMNAFFAR4
SCHEMBL4019177 0.87 POLB (0.48) POLBCPT1ACPT1BLMNAFFAR4
SCHEMBL2397158 0.85 LMNA (0.49) POLBLMNAFFAR1NPSR1SMN1; SMN2
SCHEMBL28389058 0.84 IAPP (0.43) POLBLMNASMN1; SMN2
SCHEMBL6137022 0.83 HSD17B10 (0.56) POLBNPSR1HSD17B10SMN1; SMN2CLCN2
SCHEMBL28389055 0.82 ALDH1A1 (0.42) POLBLMNASMN1; SMN2CLCN2
SCHEMBL12036070 0.81 CYP4F2 (0.50) LMNASMN1; SMN2HPGD
SCHEMBL11709554 0.80 FFAR4 (0.42) POLBLMNAFFAR4RXRARXRB
SCHEMBL11707394 0.80 POLB (0.40) POLBLMNAFFAR4HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0027948-B1 TETRAHYDRO-FLUORENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF MERCK & CO. INC. (US) 1984-03-21 EP disclosed
US-4356314-A [5,6,9A-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acids, their analogs, esters, salts, and derivatives MERCK & CO., INC. (US) 1982-10-26 US disclosed
US-4356313-A [(5,6,9a-substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acid esters and their analogs, the parent acids and their salts MERCK & CO., INC. (US) 1982-10-26 US disclosed
US-4337354-A BRAIN AND SPINAL CHORD DAMAGE MERCK & CO., INC. (US) 1982-06-29 US disclosed
US-4317922-A [(5,6,9a-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acids and their analogs, esters, salts and derivatives MERCK & CO., INC. (US) 1982-03-02 US disclosed
US-4316043-A ANTIEDEMIC AGENTS MERCK & CO., INC. (US) 1982-02-16 US disclosed
EP-0027948-A1 Tetrahydro-fluorene compounds, processes for their preparation and pharmaceutical compositions thereof MERCK & CO. INC. (US) 1981-05-06 EP disclosed