SCHEMBL9508047

SCHEMBL9508047

COc1c(C)c(C)c(C(=O)CCCCCBr)c(C)c1OC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.39
PLA2G5 P39877 1/20 0.39
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC8 Q9BY41 2/20 0.34
HDAC1 Q13547 2/20 0.34

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
SCHEMBL24783614 0.90 PLA2G2A (0.39) PLA2G2APLA2G5LMNAMAPK1SMN1; SMN2
SCHEMBL24784360 0.77 TSHR (0.44) PLA2G2APLA2G5LMNA
SCHEMBL24783638 0.77 TSHR (0.44) PLA2G2APLA2G5LMNA
SCHEMBL27200193 0.76 HDAC8 (0.41) LMNAMAPK1SMN1; SMN2HDAC8HDAC1
SCHEMBL9510455 0.76 HTT (0.38) LMNAMAPK1SMN1; SMN2HDAC8HDAC1
SCHEMBL23534095 0.75 POLB (0.41) MAPK1SMN1; SMN2HDAC8HDAC1
SCHEMBL29767827 0.75 POLB (0.41) MAPK1SMN1; SMN2HDAC8HDAC1
SCHEMBL29756609 0.73 MEN1 (0.42) PLA2G2APLA2G5MAPK1SMN1; SMN2NPSR1
SCHEMBL23534110 0.73 MEN1 (0.42) PLA2G2APLA2G5MAPK1SMN1; SMN2NPSR1
SCHEMBL9114586 0.70 MEN1 (0.45) PLA2G2APLA2G5LMNAMAPK1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310126-B1 DERIVATIVES OF PYROCATECHOL-CARBOXYLIC ACID, THEIR PREPARATION AND USE AS ACTIVE INGREDIENTS IN MEDICINES F. HOFFMANN-LA ROCHE AG (CH) 1993-08-18 EP disclosed
US-5191108-A Lipoxygenase inhibitors, antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1993-03-02 US disclosed
US-5025036-A Antiinflammatory agents, gastrointestinal, cardiovascular and skin disorders HOFFMANN-LA ROCHE INC. (US) 1991-06-18 US disclosed
US-4937373-A Substituted naphthalene carboxylic acids HOFFMANN-LA ROCHE INC. (US) 1990-06-26 US disclosed
EP-0310126-A2 Derivatives of pyrocatechol-carboxylic acid, their preparation and use as active ingredients in medicines F. HOFFMANN-LA ROCHE AG (CH) 1989-04-05 EP disclosed