SCHEMBL18557387

SCHEMBL18557387

CC(C)CC(=O)NCCN1C(=O)CC(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ ADRA1A P35348 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 3/20 0.34
▸ CYP2C19 P33261 1/20 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
SCHEMBL16307671 0.85 TP53 (0.48) SMN1; SMN2TP53HDAC3HDAC4HDAC1
SCHEMBL16309339 0.84 MTNR1A (0.46) SMN1; SMN2TP53HDAC3HDAC4HDAC1
SCHEMBL18471059 0.83 HDAC6 (0.34) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL13531993 0.83 HDAC3 (0.38) SMN1; SMN2TP53HDAC3HDAC4HDAC1
SCHEMBL20465783 0.83 SMN1; SMN2 (0.43) SMN1; SMN2TP53HDAC3HDAC4HDAC1
SCHEMBL18557296 0.81 LMNA (0.44) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15934066 0.81 MTNR1A (0.41) SMN1; SMN2TP53KMT2AHPGDALDH1A1
SCHEMBL19978666 0.81 HTT (0.39) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL20330624 0.81 HPGD (0.36) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15934070 0.80 KMT2A (0.35) SMN1; SMN2TP53HDAC3HDAC4HDAC1

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-9579367-B2 C-terminally tethered amino acids and their fibrinolytic therapeutic uses CANADIAN BLOOD SERVICES (CA) 2017-02-28 — — US disclosed
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