SCHEMBL11255205

SCHEMBL11255205

CCOC(=O)CCCCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
PPARA Q07869 3/20 0.51
PPARG P37231 2/20 0.51
THRB P10828 1/20 0.50
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
MAPT P10636 2/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX5 P09917 1/20 0.46
EPHX1 P07099 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL901880 0.89 FFAR4 (0.55) HDAC1HDAC8THRBALDH1A1SMN1; SMN2
SCHEMBL19857157 0.83 TRPV1 (0.53) HDAC1HDAC8PPARAPPARGFFAR4
SCHEMBL16839696 0.82 KDM4E (0.55) HDAC1HDAC8THRBALDH1A1SMN1; SMN2
SCHEMBL765019 0.82 PPARA (0.56) HDAC1HDAC8PPARAPPARGCYP4F2
SCHEMBL12329630 0.82 PPARA (0.56) HDAC1HDAC8PPARAPPARGCYP4F2
SCHEMBL7851791 0.82 CYP4Z1 (0.55) HDAC1HDAC8PPARGALDH1A1CYP4F2
SCHEMBL1205512 0.81 CYP4F2 (0.52) PPARAPPARGCYP4F2CYP4A11ALOX5
SCHEMBL10815695 0.81 HDAC6 (0.59) PPARAPPARGCYP4F2CYP4A11ALOX5
SCHEMBL11037360 0.81 MAPK1 (0.56) HDAC1HDAC8THRBALDH1A1SMN1; SMN2
SCHEMBL29004241 0.81 PDK2 (0.55) HDAC1PPARAPPARGALDH1A1ALOX5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4334089-A HYPOGLYCEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT (DE) 1982-06-08 US disclosed