SCHEMBL28047797

SCHEMBL28047797

C(OCC1CO1)C1CO1.CCCCc1cccc(O)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
MGLL Q99685 3/20 0.38
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37

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
SCHEMBL28239087 0.93 TDP1 (0.37) SMN1; SMN2MGLLALDH1A1TDP1ELANE
SCHEMBL28047888 0.88 MGLL (0.39) SMN1; SMN2MGLLALDH1A1TDP1
SCHEMBL2123587 0.86 SMN1; SMN2 (0.46) SMN1; SMN2BIDMCL1BCL2L1BAK1
SCHEMBL548499 0.83 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL28047811 0.83 TDP1 (0.39) SMN1; SMN2MGLLALDH1A1TDP1
SCHEMBL11830553 0.82 BID (0.49) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL324187 0.82 BID (0.49) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL17667237 0.81 SMN1; SMN2 (0.42) SMN1; SMN2BIDMCL1BCL2L1BAK1
SCHEMBL9350609 0.81 TDP1 (0.49) SMN1; SMN2MGLLBIDMCL1BCL2L1
SCHEMBL8750967 0.81 TDP1 (0.49) SMN1; SMN2MGLLBIDMCL1BCL2L1

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
CN-105246940-A Curable composition for sealing optical semiconductor DAICEL CORP 2016-01-13 CN disclosed