SCHEMBL11200671

SCHEMBL11200671

O=C(O)C1(CCCc2cccc(C(F)(F)F)c2)CO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
S1PR1 P21453 1/20 0.48
GRK5 P34947 1/20 0.48
CDK8 P49336 1/20 0.48
S1PR5 Q9H228 1/20 0.48
GRM2 Q14416 1/20 0.47
GRM3 Q14832 1/20 0.47
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
OPRK1 P41145 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
LMNA P02545 1/20 0.44
EPHX1 P07099 1/20 0.44
HTR2B P41595 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 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
SCHEMBL11209613 0.88 HDAC1 (0.47) HDAC1HDAC8S1PR1GRK5CDK8
SCHEMBL30450291 0.84 LMNA (0.48) S1PR1GRK5CDK8S1PR5GRM2
SCHEMBL11261814 0.83 MAPT (0.46) HDAC1HDAC8TAAR1LMNAHTR2B
SCHEMBL11209089 0.81 HDAC1 (0.49) HDAC1HDAC8S1PR1GRK5CDK8
SCHEMBL11259374 0.81 HDAC1 (0.49) HDAC1HDAC8TAAR1LMNAMEN1
SCHEMBL11271715 0.81 HDAC1 (0.49) HDAC1HDAC8TAAR1LMNAMEN1
SCHEMBL11209541 0.80 HDAC3 (0.47) HDAC1HDAC8LMNAMAPT
SCHEMBL11205620 0.80 PLAAT3 (0.46) GRM2GRM3TAAR1LMNAMEN1
SCHEMBL6264086 0.79 MRGPRX4 (0.52) LMNAKMT2AGAAMAOB
SCHEMBL11267692 0.78 HDAC1 (0.43) HDAC1HDAC8LMNAEPHX1KMT2A

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 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