SCHEMBL11205182

SCHEMBL11205182

COC(=O)OC1(CCCCc2cccc(F)c2)CO1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
STAT1 P42224 1/20 0.41
RAB9A P51151 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
POLB P06746 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL11205507 0.88 NAAA (0.42) NAAACYP4F2CYP4A11KDM4EGAA
SCHEMBL11207145 0.85 KDM4E (0.41) NAAACYP4F2CYP4A11KDM4EGAA
SCHEMBL11210108 0.84 HDAC1 (0.47) CYP4F2CYP4A11KDM4EGAARAB9A
SCHEMBL11206711 0.84 HDAC1 (0.47) CYP4F2CYP4A11KDM4EGAARAB9A
SCHEMBL11210933 0.81 KMT2A (0.41) SLC6A3
SCHEMBL11263132 0.81 CYP4F2 (0.43) NAAACYP4F2CYP4A11KDM4EGAA
SCHEMBL11205196 0.78 HPGD (0.36) CYP4F2CYP4A11KDM4ERAB9AMTNR1A
SCHEMBL11210936 0.78 NAAA (0.40) NAAACYP4F2CYP4A11
SCHEMBL11204241 0.77 HPGD (0.35) KDM4ERAB9AMTNR1AMTNR1BSLC6A4
SCHEMBL11018732 0.77 RAB9A (0.37) KDM4EGAARAB9ADRD2SLC6A3

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 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