SCHEMBL11042340

SCHEMBL11042340

O=C(O)C(=O)CCCc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.55
▸ FFAR1 O14842 1/20 0.50
▸ PLAAT3 P53816 2/20 0.47
▸ PLAAT5 Q96KN8 2/20 0.47
▸ PLAAT2 Q9NWW9 2/20 0.47
▸ PLAAT4 Q9UL19 2/20 0.47
▸ HDAC3 O15379 2/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC7 Q8WUI4 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC10 Q969S8 2/20 0.47
▸ HDAC11 Q96DB2 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC9 Q9UKV0 2/20 0.47
▸ HDAC5 Q9UQL6 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ SLC6A3 Q01959 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
SCHEMBL22609241 0.88 PLAAT3 (0.58) LMNAFFAR1PLAAT3PLAAT5PLAAT2
SCHEMBL655425 0.84 SMN1; SMN2 (0.67) LMNAFFAR1HDAC3HDAC4HDAC1
SCHEMBL28313826 0.82 LMNA (0.47) LMNAFFAR1PLAAT3PLAAT5PLAAT2
SCHEMBL23003726 0.82 LMNA (0.56) LMNAFFAR1HDAC3HDAC4HDAC1
SCHEMBL710419 0.82 HDAC1 (0.69) LMNAFFAR1PLAAT3PLAAT5PLAAT2
SCHEMBL11039858 0.81 HDAC3 (0.54) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL11037383 0.81 PLAAT3 (0.60) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL658360 0.80 LMNA (0.54) LMNAFFAR1
SCHEMBL3940464 0.80 LMNA (0.50) LMNAFFAR1PLAAT3PLAAT5PLAAT2
SCHEMBL8813092 0.79 SMN1; SMN2 (0.60) LMNAFFAR1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0038343-B1 SUBSTITUTED CARBOXYLIC CETO-ACIDS, PROCESS FOR THE PREPARATION THEREOF, USE THEREOF AND MEDICINAL COMPOSITIONS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-12-27 — — EP disclosed
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