SCHEMBL1075154

SCHEMBL1075154

CC(C)c1cnc(NC2C3CC4CC(C3)CC2C4)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.44
CCNE1 P24864 6/20 0.44
CDK5 Q00535 6/20 0.44
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FDPS P14324 1/20 0.42
CCNT1 O60563 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
MNAT1 P51948 1/20 0.37
CDK5R1 Q15078 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR2 P34972 4/20 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
SCHEMBL5810367 0.80 ALDH1A1 (0.46) ALDH1A1HTTHSD17B10FDPSSMN1; SMN2
SCHEMBL5484001 0.77 CDK2 (0.48) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL1074920 0.76 ALDH1A1 (0.42) CDK2CCNE1CDK5ALDH1A1HTT
SCHEMBL12894437 0.69 CDK2 (0.58) CDK2CCNE1CDK5ALDH1A1FDPS
SCHEMBL15871364 0.69 CDK2 (0.43) CDK2CCNE1CDK5ALDH1A1FDPS
SCHEMBL23798036 0.67 DDB1 (0.53) CDK2CCNE1CDK5
SCHEMBL3709518 0.66 HTT (0.53) ALDH1A1HTTHSD17B10FDPSSMN1; SMN2
SCHEMBL13437913 0.65 CDK2 (0.53) CDK2CCNE1CDK5ALDH1A1FDPS
SCHEMBL13436517 0.65 CDK2 (0.65) CDK2CCNE1CDK5ALDH1A1FDPS
SCHEMBL17244883 0.62 CDK2 (0.63) CDK2CCNE1CDK5ALDH1A1FDPS

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
WO-2011001258-A1 COMPOSITIONS, METHODS, AND KITS FOR TREATING VIRAL AND BACTERIAL INFECTIONS BY TOCOTRIENOLS, TOCOMONOENOLS, TOCODIENOLS, TOCOPHEROLS, AND THEIR DERIVATES EVITA LIFE SCIENCE PTE. LTD (SG) 2011-01-06 WO disclosed