SCHEMBL11529099

SCHEMBL11529099

CC(NC(=O)C(F)(F)F)c1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.63
CYP2C9 P11712 1/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
SSTR4 P31391 1/20 0.53
EPHX2 P34913 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PDE2A O00408 1/20 0.49

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
Trifluoroacetic Acid SCHEMBL3338958 0.85 HDAC3 (0.60) HDAC3CYP2C9HDAC1HDAC6LMNA
SCHEMBL24575927 0.82 EPHX2 (0.64) HDAC3CYP2C9HDAC1HDAC6LMNA
Trifluoroacetic Acid SCHEMBL29494217 0.82 HDAC3 (0.63) HDAC3CYP2C9HDAC1HDAC6LMNA
SCHEMBL3338962 0.82 HDAC3 (0.57) HDAC3CYP2C9HDAC1HDAC6LMNA
SCHEMBL808968 0.81 HDAC3 (0.47) HDAC3CYP2C9HDAC1HDAC6LMNA
SCHEMBL7263715 0.81 LMNA (0.61) LMNAGAASSTR4EPHX2MEN1
SCHEMBL29609692 0.81 LMNA (0.61) HDAC3CYP2C9HDAC1HDAC6LMNA
SCHEMBL6529748 0.81 LMNA (0.61) HDAC3CYP2C9HDAC1HDAC6LMNA
SCHEMBL8518963 0.81 LMNA (0.61) LMNAGAASSTR4EPHX2MEN1
SCHEMBL6514206 0.81 LMNA (0.61) HDAC3CYP2C9HDAC1HDAC6LMNA

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-4140496-A GAS CHROMATOGRAPHY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-02-20 US disclosed