SCHEMBL28355231

SCHEMBL28355231

CC(=CCO)CCC=C(C)CCC1OC1(C)C

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LSS P48449 9/20 0.71
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MEN1 O00255 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
UGT1A1 P22309 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL25208204 1.00 LSS (0.71) LSSMAPTALDH1A1MEN1CYP3A4
SCHEMBL10048472 1.00 LSS (0.71) LSSMAPTALDH1A1MEN1CYP3A4
SCHEMBL25205292 1.00 LSS (0.71) LSSMAPTALDH1A1MEN1CYP3A4
SCHEMBL27989591 0.93 LSS (0.59) LSS
SCHEMBL10876690 0.93 LSS (0.59) LSS
SCHEMBL9210572 0.93 LSS (0.59) LSS
SCHEMBL27989752 0.93 LSS (0.59) LSS
SCHEMBL29711785 0.91 LSS (0.83) LSS
SCHEMBL29711771 0.91 LSS (0.83) LSS
SCHEMBL1401906 0.86 LSS (0.78) LSS

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
CN-110643222-A Printing ink TCL集团股份有限公司 2020-01-03 CN claimed
CN-110643222-A Printing ink TCL集团股份有限公司 2020-01-03 CN disclosed