SCHEMBL9437480

SCHEMBL9437480

CC(C)CC(C(=O)O)N1CC(=O)NC(Cc2ccc3ccccc3c2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.42
SDCBP O00560 2/20 0.41
SDC2 P34741 2/20 0.41
HDAC6 Q9UBN7 3/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
ITGB2 P05107 4/20 0.40
ICAM1 P05362 4/20 0.40
ITGAL P20701 4/20 0.40
SOAT2 O75908 1/20 0.39
CASP1 P29466 1/20 0.38
CASP3 P42574 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL9437576 0.77 LMNA (0.52) HDAC6HDAC1HDAC8MEN1KMT2A
SCHEMBL873588 0.74 HDAC6 (0.62) HDAC6HDAC1HDAC8KMT2A
SCHEMBL873589 0.74 HDAC6 (0.62) HDAC6HDAC1HDAC8KMT2A
SCHEMBL6439382 0.67 HDAC6 (0.41) HDAC6HDAC1HDAC8SOAT2
SCHEMBL8557209 0.67 HDAC6 (0.44) HDAC6HDAC1HDAC8
SCHEMBL13879474 0.67 MAPT (0.57)
SCHEMBL13879408 0.66 HDAC6 (0.59) HDAC6HDAC1MEN1KMT2A
SCHEMBL5557284 0.65 HDAC6 (0.45) HDAC6HDAC1HDAC8MEN1KMT2A
SCHEMBL5557293 0.65 HDAC6 (0.45) HDAC6HDAC1HDAC8MEN1KMT2A
SCHEMBL7448764 0.65 CXCR4 (0.47)

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-5340802-A Central nervous system disorders ABBOTT LABORATORIES (US) 1994-08-23 US disclosed