SCHEMBL11200657

SCHEMBL11200657

O=C(O)OC1(CCCCCc2ccc(Cl)cc2)CO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
LTB4R Q15722 2/20 0.42
NAAA Q02083 1/20 0.42
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
IGF1R P08069 1/20 0.39

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
SCHEMBL11208529 0.96 HDAC3 (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL11207729 0.87 MAPT (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7359104 0.85 MAPT (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL11208706 0.85 MAPT (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL11205253 0.84 PPARA (0.38) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL11209543 0.82 MAPT (0.45) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL10436374 0.82 ABCB11 (0.59) PPARAABCB11LMNAMAPTMAPK1
SCHEMBL10436378 0.82 ABCB11 (0.59) PPARAABCB11LMNAMAPTMAPK1
SCHEMBL10436501 0.82 ABCB11 (0.59) PPARAABCB11LMNAMAPTMAPK1
SCHEMBL7432087 0.82 ABCB11 (0.59) PPARAABCB11LMNAMAPTMAPK1

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 2 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
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