SCHEMBL9358337

SCHEMBL9358337

C[C@H](NC(=O)OC(C)(C)C)C(=O)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
BTK Q06187 1/20 0.44
CTSK P43235 3/20 0.44
CTSS P25774 2/20 0.44
GAA P10253 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
EPHX1 P07099 1/20 0.42
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CACNA1B Q00975 3/20 0.38
CYP2D6 P10635 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL9358329 1.00 KMT2A (0.49) KMT2ABTKCTSKCTSSGAA
SCHEMBL20470214 0.98 KMT2A (0.50) KMT2ABTKCTSKCTSSGAA
SCHEMBL22506480 0.98 KMT2A (0.50) KMT2ABTKCTSKCTSSGAA
SCHEMBL20470278 0.98 KMT2A (0.50) KMT2ABTKCTSKCTSSGAA
SCHEMBL15081371 0.95 KMT2A (0.50) KMT2ABTKCTSKCTSSGAA
SCHEMBL3671342 0.95 KMT2A (0.50) KMT2ABTKCTSKCTSSGAA
SCHEMBL27243979 0.92 KMT2A (0.56) KMT2ABTKCTSKCTSSCA12
SCHEMBL12767863 0.92 KMT2A (0.56) KMT2ABTKCTSKCTSSCA12
SCHEMBL15081293 0.92 KMT2A (0.56) KMT2ABTKCTSKCTSSCA12
SCHEMBL5317241 0.84 KMT2A (0.47) KMT2ABTKCTSKCTSSGAA

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
EP-0300189-B1 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-11-02 EP disclosed
EP-0300189-A2 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 EP disclosed