SCHEMBL5030262

SCHEMBL5030262

O=C(O)C1(C(=O)OCc2ccccc2)CCPCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL5030256 0.94 DDB1 (0.50) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL1200111 0.89 DDB1 (0.54) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL3555789 0.86 DDB1 (0.51) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL595870 0.86 DDB1 (0.51) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL4429190 0.84 DDB1 (0.50) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL16661304 0.82 DDB1 (0.56) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL6497234 0.82 DDB1 (0.51) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL5355188 0.82 KMT2A (0.51) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL13993297 0.79 DDB1 (0.46) DDB1CRBNALDH1A1KMT2A
SCHEMBL18493339 0.79 DDB1 (0.54) DDB1CRBNALDH1A1MAPK1L3MBTL1

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
EP-1981888-A2 INHIBITORS OF TYROSINE KINASES AND USES THEREOF Pharmacyclics, Inc. (US) 2008-10-22 EP disclosed
WO-2007087068-A2 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2007-08-02 WO disclosed