SCHEMBL27468541

SCHEMBL27468541

CC(C)(C)OC(=O)[C@H](CCCNC(=N)N)NC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ EPHX1 P07099 2/20 0.41
▸ POLB P06746 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ITGB3 P05106 9/20 0.37
▸ ITGA2B P08514 9/20 0.37
▸ GAA P10253 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ EPHX2 P34913 3/20 0.34

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
SCHEMBL27468542 1.00 HDAC4 (0.41) HDAC4HDAC1HDAC6EPHX1POLB
SCHEMBL27508416 0.99 HDAC4 (0.39) HDAC4HDAC1HDAC6EPHX1POLB
SCHEMBL27508415 0.99 HDAC4 (0.39) HDAC4HDAC1HDAC6EPHX1POLB
SCHEMBL27466179 0.96 TDP1 (0.38) HDAC4HDAC1HDAC6EPHX1POLB
SCHEMBL27466178 0.96 TDP1 (0.38) HDAC4HDAC1HDAC6EPHX1POLB
SCHEMBL27632265 0.81 SMN1; SMN2 (0.45) EPHX1SMN1; SMN2EPHX2
SCHEMBL13863591 0.79 MEN1 (0.42) POLBNPSR1TDP1GAAMEN1
SCHEMBL1373520 0.78 NPY4R (0.36) EPHX1ITGB3ITGA2BSMN1; SMN2EPHX2
SCHEMBL18098224 0.78 NPY4R (0.36) EPHX1ITGB3ITGA2BSMN1; SMN2EPHX2
SCHEMBL27484587 0.78 MEN1 (0.40) POLBNPSR1TDP1ITGB3ITGA2B

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
CN-1171116-A N-substituted glycine derivatives as factor Xa inhibitors CORVAS INT INC (US) 1998-01-21 — — CN disclosed
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