SCHEMBL11206802

SCHEMBL11206802

O=C(O)C1(CCCc2ccc(Cl)cc2)CO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
ABCB11 O95342 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
LTB4R Q15722 2/20 0.40
NAAA Q02083 1/20 0.40
ARG1 P05089 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
Clomoxir SCHEMBL112980 0.94 ABCB11 (0.47) MAPK1ABCB11LMNAMAPTHDAC3
Clomoxir SCHEMBL28319997 0.93 ABCB11 (0.46) MAPK1ABCB11LMNAMAPTHDAC3
SCHEMBL11209541 0.85 HDAC3 (0.47) MAPK1LMNAMAPTHDAC3HDAC4
SCHEMBL11203232 0.85 ABCB11 (0.41) MAPK1ABCB11LMNAMAPTHDAC3
SCHEMBL11205620 0.82 PLAAT3 (0.46) LMNANAAAPLAAT3PLAAT5PLAAT2
SCHEMBL11264433 0.80 LMNA (0.68) MAPK1ABCB11LMNAMAPTALDH1A1
Clomoxir SCHEMBL1580449 0.80 ABCB11 (0.45) MAPK1ABCB11LMNAMAPTHDAC3
SCHEMBL11203828 0.79 MAPT (0.50) MAPK1MAPTHDAC3HDAC4HDAC1
SCHEMBL11269019 0.79 ABCB11 (0.48) MAPK1ABCB11LMNAMAPTHDAC3
SCHEMBL11270686 0.78 MAPT (0.49) MAPK1MAPTHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0025192-B1 SUBSTITUTED OXIRANE CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-05-11 EP claimed
US-4324796-A HYPOGLYCEMIC AGENTS, HYPOKETONEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-04-13 US claimed
EP-0025192-A2 Substituted oxirane carboxylic acids, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1981-03-18 EP claimed
EP-0025192-B1 SUBSTITUTED OXIRANE CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-05-11 EP disclosed
US-4324796-A HYPOGLYCEMIC AGENTS, HYPOKETONEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-04-13 US disclosed
EP-0025192-A2 Substituted oxirane carboxylic acids, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1981-03-18 EP disclosed