SCHEMBL30360564

SCHEMBL30360564

NCCC(=O)NCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ SMYD3 Q9H7B4 1/20 0.31
▸ PSMB8 P28062 1/20 0.31
▸ PSMB5 P28074 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ PRSS1 P07477 1/20 0.30
▸ CTSG P08311 1/20 0.30
▸ CTRB1 P17538 1/20 0.30
▸ CMA1 P23946 1/20 0.30

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
SCHEMBL16485544 0.86 SMN1; SMN2 (0.39) SMN1; SMN2HPGDHTTCYP3A4CYP2D6
SCHEMBL13405586 0.85 SMN1; SMN2 (0.45) SMN1; SMN2HPGDHTTTSHRLMNA
SCHEMBL14103627 0.85 SMN1; SMN2 (0.42) SMN1; SMN2HPGDHTTTSHRLMNA
SCHEMBL18878682 0.85 CASP2 (0.41) SMN1; SMN2HPGDHTT
SCHEMBL22987351 0.84 HPGD (0.33) SMN1; SMN2HPGDHTT
SCHEMBL18250682 0.84 SMN1; SMN2 (0.41) SMN1; SMN2HPGDHTTLMNAALDH1A1
SCHEMBL17750731 0.84 HPGD (0.40) SMN1; SMN2HPGDHTTLMNAPSMB8
SCHEMBL18977033 0.84 HPGD (0.40) SMN1; SMN2HPGDHTT
SCHEMBL16724725 0.84 HPGD (0.40) SMN1; SMN2HPGDHTTLMNAPSMB8
SCHEMBL13069250 0.84 PSMB8 (0.35) HPGDLMNAPSMB8PSMB5

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
EP-3080608-B1 MASS LABELS ELECTROPHORETICS LTD (GB) 2023-02-01 — — EP disclosed
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