SCHEMBL11201910

SCHEMBL11201910

C=C(CCCc1ccccc1)C(=O)OC(C)CC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
EPHX2 P34913 2/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL19656183 0.87 HDAC1 (0.50) SMN1; SMN2HDAC3HDAC1HDAC2HDAC8
SCHEMBL11133561 0.80 ALOX5 (0.53) SMN1; SMN2HDAC3HDAC1HDAC2HDAC8
SCHEMBL7061795 0.80 ALDH1A1 (0.47) SMN1; SMN2NPC1RAB9ATDP1KMT2A
SCHEMBL9698627 0.79 HDAC1 (0.55) SMN1; SMN2HDAC3HDAC1HDAC2HDAC8
SCHEMBL28658332 0.77 LMNA (0.39) MAPK1LMNAEPHX2FAAHMAPT
SCHEMBL28294350 0.76 HDAC1 (0.55) SMN1; SMN2HDAC3HDAC1HDAC2HDAC8
SCHEMBL304578 0.76 ALDH1A1 (0.44) SMN1; SMN2HDAC2HDAC8HDAC6NPC1
SCHEMBL11203911 0.75 ALOX5 (0.53) SMN1; SMN2HDAC3HDAC1HDAC2HDAC8
SCHEMBL7061411 0.75 ALDH1A1 (0.42) SMN1; SMN2NPC1RAB9ATDP1KMT2A
SCHEMBL28765013 0.75 MAPT (0.54) SMN1; SMN2HDAC3HDAC1HDAC2HDAC8

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 3 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 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