SCHEMBL8395663

SCHEMBL8395663

C=CC(=O)OCC(COC)COC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.61
HPGD P15428 1/20 0.48
ALDH1A1 P00352 5/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 3/20 0.41
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.33
HCAR2 Q8TDS4 2/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL21677119 1.00 TSHR (0.61) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12701633 0.89 TSHR (0.67) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL25553220 0.87 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8742010 0.85 ATM (0.46) TSHRHPGDALDH1A1ATMHCAR2
SCHEMBL29084605 0.85 ATM (0.46) TSHRHPGDALDH1A1ATMHCAR2
SCHEMBL22386407 0.84 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4076455 0.82 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL25822500 0.82 TSHR (0.64) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL25879296 0.82 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL74390 0.81 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A

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-0915918-A1 RESINS OF AMPHOTERIC ALDEHYDE POLYMERS AND USE OF SAID RESINS AS TEMPORARY WET-STRENGTH OR DRY-STRENGTH RESINS FOR PAPER HERCULES INCORPORATED (US) 1999-05-19 EP claimed
WO-1998054237-A1 RESINS OF AMPHOTERIC ALDEHYDE POLYMERS AND USE OF SAID RESINS AS TEMPORARY WET-STRENGTH OR DRY-STRENGTH RESINS FOR PAPER HERCULES INCORPORATED (US) 1998-12-03 WO claimed