SCHEMBL8357480

SCHEMBL8357480

O=[C][C@H](Cc1ccccc1)NC(=O)CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CTSC P53634 2/20 0.52
HDAC1 Q13547 3/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
KEAP1 Q14145 1/20 0.50
ALDH1A1 P00352 1/20 0.49
FFAR1 O14842 1/20 0.47
CTSG P08311 1/20 0.47
CMA1 P23946 1/20 0.47
GAA P10253 1/20 0.46
TRPA1 O75762 1/20 0.46
CNR2 P34972 1/20 0.46
HDAC3 O15379 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8357478 1.00 HDAC2 (0.53) HDAC2HDAC8HDAC6CTSCHDAC1
SCHEMBL10725488 0.91 SMN1; SMN2 (0.57) HDAC2HDAC8HDAC6CTSCHDAC1
SCHEMBL10725478 0.91 SMN1; SMN2 (0.57) HDAC2HDAC8HDAC6CTSCHDAC1
SCHEMBL7358128 0.86 HDAC2 (0.51) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL9871281 0.83 ALDH1A1 (0.60) CTSCHTTALDH1A1CTSGCMA1
SCHEMBL13858664 0.83 CTSC (0.75) CTSCHTTALDH1A1CNR2SMN1; SMN2
SCHEMBL27698308 0.83 CTSC (0.54) CTSCHTTALDH1A1SMN1; SMN2
SCHEMBL583349 0.83 CTSC (0.75) CTSCHTTALDH1A1CNR2SMN1; SMN2
SCHEMBL583348 0.83 CTSC (0.75) CTSCHTTALDH1A1CNR2SMN1; SMN2
SCHEMBL8530955 0.82 FAAH (0.55) CTSCALDH1A1SMN1; SMN2

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
US-5986108-A ENZYME INHIBITORS SYNPHAR LABORATORIES, INC. (CA) 1999-11-16 US claimed
US-4362818-A MILK COAGULATION MILES LABORATORIES, INC. (US) 1982-12-07 US disclosed