SCHEMBL22190367

SCHEMBL22190367

O=C(CCCc1ccc(C(F)(F)F)cc1)NO

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.74
HDAC8 Q9BY41 6/20 0.74
HDAC2 Q92769 7/20 0.62
HDAC6 Q9UBN7 4/20 0.62
HDAC3 O15379 3/20 0.62
HDAC5 Q9UQL6 3/20 0.62
MMP1 P03956 2/20 0.59
HDAC7 Q8WUI4 3/20 0.57
HDAC4 P56524 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
ALOX5 P09917 1/20 0.54

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
SCHEMBL17054179 0.90 HDAC1 (0.69) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL4579649 0.85 HDAC1 (1.00) HDAC1HDAC8HDAC6MMP1HDAC7
SCHEMBL21148829 0.81 HDAC1 (0.69) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL1454387 0.81 FFAR1 (0.60) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL934147 0.81 HDAC1 (0.57) HDAC1HDAC8HDAC2HDAC6HDAC3
Hydrochloric Acid SCHEMBL30882461 0.79 HDAC1 (0.55) HDAC1HDAC8
Hydrochloric Acid SCHEMBL2763476 0.79 FFAR1 (0.59) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL5182649 0.79 HDAC1 (0.55) HDAC1HDAC8
SCHEMBL21045474 0.79 TRPV1 (0.68) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL21149882 0.79 HDAC1 (0.71) HDAC1HDAC8HDAC2HDAC6HDAC3

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
WO-2020141734-A1 METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR 기초과학연구원 2020-07-09 WO disclosed
WO-2020141734-A1 METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR 기초과학연구원 2020-07-09 WO disclosed