SCHEMBL11038941

SCHEMBL11038941

O=C(O)C(=O)CCCCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC8 Q9BY41 1/20 0.58
▸ TAAR1 Q96RJ0 1/20 0.51
▸ FAAH O00519 3/20 0.51
▸ CES1 P23141 3/20 0.51
▸ EPHX1 P07099 1/20 0.51
▸ FFAR4 Q5NUL3 3/20 0.49
▸ FFAR1 O14842 2/20 0.49
▸ PTGER1 P34995 1/20 0.48
▸ PTGFR P43088 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ACP3 P15309 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ S1PR1 P21453 1/20 0.47
▸ GRK5 P34947 1/20 0.47
▸ CDK8 P49336 1/20 0.47
▸ S1PR5 Q9H228 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL11041817 1.00 HDAC1 (0.58) HDAC1HDAC8TAAR1FAAHCES1
SCHEMBL11038837 1.00 HDAC1 (0.58) HDAC1HDAC8TAAR1FAAHCES1
SCHEMBL11038774 0.98 HDAC1 (0.59) HDAC1HDAC8TAAR1FAAHCES1
SCHEMBL27930024 0.94 HDAC1 (0.57) HDAC1HDAC8TAAR1EPHX1FFAR4
SCHEMBL7150587 0.90 MAPT (0.60) HDAC1HDAC8TAAR1FAAHCES1
SCHEMBL11755472 0.88 HDAC1 (0.60) HDAC1HDAC8TAAR1FAAHCES1
SCHEMBL30412030 0.87 EPHX1 (0.59) HDAC1HDAC8TAAR1FAAHCES1
SCHEMBL249437 0.85 EPHX1 (0.61) HDAC1HDAC8TAAR1EPHX1ACP3
SCHEMBL1981615 0.83 FFAR4 (0.59) HDAC1HDAC8TAAR1EPHX1FFAR4
SCHEMBL12040551 0.82 TAAR1 (0.62) HDAC1HDAC8TAAR1FAAHCES1

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-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
US-4334089-A HYPOGLYCEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT (DE) 1982-06-08 — — US disclosed
EP-0051077-A1 Substituted oxocarboxylic acids, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-05-12 — — EP disclosed
EP-0038343-A1 SUBSTITUTED CARBOXYLIC CETO-ACIDS, PROCESS FOR THE PREPARATION THEREOF, USE THEREOF AND MEDICINAL COMPOSITIONS CONTAINING THEM. BYK GULDEN LOMBERG CHEM FAB (DE) 1981-10-28 — — EP disclosed
WO-1981001285-A1 SUBSTITUTED CARBOXYLIC CETO-ACIDS,PROCESS FOR THE PREPARATION THEREOF,USE THEREOF AND MEDICINAL COMPOSITIONS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1981-05-14 — — WO disclosed
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