SCHEMBL7870185

SCHEMBL7870185

C=CCOCC1CO1.CCCCCCCCCc1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39
KAT8 Q9H7Z6 2/20 0.39
SAE1 Q9UBE0 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
KAT5 Q92993 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F7 P08709 3/20 0.37
F3 P13726 3/20 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
SCHEMBL29256323 0.89 TDP1 (0.49) ALDH1A1TDP1BIDMCL1BCL2L1
SCHEMBL1003516 0.89 TDP1 (0.49) ALDH1A1TDP1BIDMCL1BCL2L1
SCHEMBL9350609 0.89 TDP1 (0.49) ALDH1A1TDP1BIDMCL1BCL2L1
SCHEMBL413662 0.89 TDP1 (0.49) ALDH1A1TDP1BIDMCL1BCL2L1
SCHEMBL21552431 0.89 TDP1 (0.49) ALDH1A1TDP1BIDMCL1BCL2L1
SCHEMBL8750967 0.89 TDP1 (0.49) ALDH1A1TDP1BIDMCL1BCL2L1
Ethylene Glycol SCHEMBL11518185 0.86 TDP1 (0.46) ALDH1A1TDP1BIDMCL1BCL2L1
SCHEMBL28578567 0.85 THRA (0.50) TDP1THRATHRBBIDMCL1
SCHEMBL6398467 0.85 THRA (0.50) TDP1THRATHRBBIDMCL1
SCHEMBL2123587 0.84 SMN1; SMN2 (0.46) ALDH1A1TDP1BIDMCL1BCL2L1

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
US-6307069-B1 EASILY CLEAVABLE UNDER ACIDIC CONDITIONS; CONTAINING A COPOLYMERIZABLE UNSATURATED GROUP DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2001-10-23 US disclosed