SCHEMBL11203221

SCHEMBL11203221

CCOC(=O)OC1(CCCc2cccc(C(F)(F)F)c2)CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MAOB P27338 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
MEN1 O00255 1/20 0.40
HTR2B P41595 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
LMNA P02545 1/20 0.38
PRKCA P17252 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
SCHEMBL11205844 0.94 MAPT (0.45) THRBALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL7428692 0.92 ALDH1A1 (0.41) THRBALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL11021036 0.90 ALDH1A1 (0.41) THRBALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL11288766 0.89 ALDH1A1 (0.40) THRBALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL11018161 0.89 ALDH1A1 (0.40) THRBALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL11207145 0.86 KDM4E (0.41) ALDH1A1KDM4EMAPTKMT2ACYP4F2
SCHEMBL11209089 0.85 HDAC1 (0.49) KDM4EHDAC1HDAC8MAPTKMT2A
SCHEMBL11206711 0.85 HDAC1 (0.47) SMN1; SMN2KDM4EHDAC1HDAC8KMT2A
SCHEMBL11210108 0.85 HDAC1 (0.47) SMN1; SMN2KDM4EHDAC1HDAC8KMT2A
SCHEMBL11205681 0.84 MAPT (0.42) THRBALDH1A1SMN1; SMN2KDM4EMAPT

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