SCHEMBL9643256

SCHEMBL9643256

CC(C)CC(C)(CNC(=O)c1cccc(C=Cc2nc(C(C)C)cs2)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.48
CYP24A1 Q07973 4/20 0.37
KMT2A Q03164 3/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
ADRB1 P08588 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
PTGS1 P23219 1/20 0.36
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC4 P56524 2/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL9641854 0.85 ALB (0.49) ALBCYP24A1KMT2AHSD17B10GAA
SCHEMBL28748039 0.79 ALB (0.54) ALB
SCHEMBL5779807 0.78 ALB (0.61) ALBHDAC1HDAC6HDAC4HDAC3
SCHEMBL5780106 0.76 ALB (0.57) ALBKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL27569880 0.76 ALB (0.57) ALBKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL5778029 0.72 ALB (0.51) ALBKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL5774563 0.71 ALB (0.69) ALBKMT2AHSD17B10SMN1; SMN2MEN1
SCHEMBL9643200 0.71 HDAC1 (0.46) ALBCYP24A1KMT2AHSD17B10SMN1; SMN2
SCHEMBL9515927 0.70 ALB (0.49) ALBKMT2AHSD17B10SMN1; SMN2MEN1
SCHEMBL9515938 0.70 ALB (0.49) ALBKMT2AHSD17B10SMN1; SMN2MEN1

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