SCHEMBL10691629

SCHEMBL10691629

COC(=O)CCC(=O)c1ccc(OC(=S)N(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
LMNA P02545 4/20 0.54
HTT P42858 4/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HSD17B10 Q99714 1/20 0.54
MMP1 P03956 2/20 0.46
RAB9A P51151 2/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL9733951 0.85 KMT2A (0.51) MAPTLMNAHTTKMT2AALDH1A1
SCHEMBL4674082 0.81 KMT2A (0.51) MAPTLMNAHTTKMT2AALDH1A1
SCHEMBL10793843 0.81 RAB9A (0.43) MAPTLMNAHTTKMT2AALDH1A1
SCHEMBL11305905 0.79 CA1 (0.56) MAPTLMNAHTTKMT2AALDH1A1
SCHEMBL1108994 0.78 MMP1 (0.70) MAPTLMNAHTTKMT2AALDH1A1
SCHEMBL377282 0.78 LIPE (0.51) MAPTLMNAHTTKMT2AALDH1A1
SCHEMBL9711102 0.75 MAPT (0.53) MAPTLMNAHTTKMT2AALDH1A1
SCHEMBL17884768 0.74 ESRRB (0.62) MAPTALDH1A1MMP1SMN1; SMN2
SCHEMBL4257673 0.74 NPC1 (0.70) MAPTLMNAHTTKMT2AALDH1A1
SCHEMBL3920495 0.74 ALDH1A1 (0.43) MAPTLMNAHTTKMT2AALDH1A1

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
US-4761425-A ANTIASTHMATICS; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1988-08-02 US disclosed
EP-0147217-A2 Leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1985-07-03 EP disclosed