SCHEMBL9643200

SCHEMBL9643200

CCCc1csc(C=Cc2cccc(C(=O)NCC(CC)(CC)C(=O)O)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.46
HDAC6 Q9UBN7 5/20 0.46
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ADRB1 P08588 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
HPGD P15428 1/20 0.46
PTGS1 P23219 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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
SCHEMBL9641867 0.89 HDAC1 (0.41) HDAC1HDAC6MAPTSMN1; SMN2TP53
SCHEMBL9641854 0.85 ALB (0.49) HDAC1HDAC6MAPTSMN1; SMN2TP53
SCHEMBL9643256 0.71 ALB (0.48) HDAC1HDAC6MAPTSMN1; SMN2TP53
SCHEMBL9518039 0.71 HDAC1 (0.46) HDAC1HDAC6MAPTHDAC3HDAC4
SCHEMBL9518032 0.71 HDAC1 (0.46) HDAC1HDAC6MAPTHDAC3HDAC4
SCHEMBL9516926 0.70 HDAC1 (0.52) HDAC1HDAC6MAPTSMN1; SMN2TP53
SCHEMBL9516929 0.70 HDAC1 (0.52) HDAC1HDAC6MAPTSMN1; SMN2TP53
SCHEMBL28748039 0.65 ALB (0.54) ALB
SCHEMBL1929644 0.65 L3MBTL1 (0.61) HDAC1HDAC6SMN1; SMN2KDM4EALDH1A1
SCHEMBL1929645 0.65 L3MBTL1 (0.61) HDAC1HDAC6SMN1; SMN2KDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0287471-B1 CARBOXYSTYRENE DERIVATIVES AND DRUGS CONTAINING THEM AS EFFECTIVE INGREDIENTS MITSUBISHI KASEI CORPORATION (JP) 1992-09-09 EP disclosed
US-4925861-A LEUKOTRIENE ANTAGONISTS, PHOSPHOLIPASE INHIBITORS MITSUBISHI KASEI CORPORATION (JP) 1990-05-15 US disclosed
EP-0287471-A2 Carboxystyrene derivatives and drugs containing them as effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1988-10-19 EP disclosed