SCHEMBL9510451

SCHEMBL9510451

C=C(C)C(=O)NCCCCCC(=O)Nc1ccc2[nH]nnc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.41
HDAC2 Q92769 12/20 0.41
HDAC3 O15379 11/20 0.41
HDAC6 Q9UBN7 11/20 0.41
HDAC4 P56524 10/20 0.41
HDAC7 Q8WUI4 10/20 0.41
HDAC10 Q969S8 10/20 0.41
HDAC11 Q96DB2 10/20 0.41
HDAC8 Q9BY41 10/20 0.41
HDAC9 Q9UKV0 10/20 0.41
HDAC5 Q9UQL6 10/20 0.41
P2RY12 Q9H244 1/20 0.39
EPHX1 P07099 1/20 0.36
NAMPT P43490 1/20 0.36
PRMT1 Q99873 1/20 0.36
BAZ1A Q9NRL2 1/20 0.36

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
SCHEMBL11489249 0.82 LMNA (0.52) NAMPT
SCHEMBL11067406 0.81 SMN1; SMN2 (0.53)
SCHEMBL8761617 0.81 BAZ1A (0.51) BAZ1A
SCHEMBL9506549 0.80 HDAC3 (0.40) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL9508860 0.80 P2RY12 (0.44) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL9475174 0.79 CNR1 (0.43) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL2704274 0.77 ALDH1A1 (0.50)
SCHEMBL9475226 0.77 CNR1 (0.60)
SCHEMBL9474666 0.77 CNR1 (0.60)
SCHEMBL9474467 0.75 CNR1 (0.64)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0285266-B1 METAL TREATMENT ZENECA LIMITED (GB) 1993-08-25 EP disclosed
US-5064723-A METAL TREATMENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-12 US disclosed
EP-0285266-A2 Metal treatment ZENECA LIMITED (GB) 1988-10-05 EP disclosed
EP-0251490-A2 Metal-polymer adhesion IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-07 EP disclosed