SCHEMBL8630464

SCHEMBL8630464

COC(=O)c1ccccc1SCC1CC(CSc2ccccc2C(=O)OC)C(CSc2ccccc2C(=O)OC)C1CSc1ccccc1C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.57
POLB P06746 2/20 0.57
CRBN Q96SW2 1/20 0.55
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CFTR P13569 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PKLR P30613 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL10144072 0.76 HSD17B10 (0.67) HSD17B10POLBCRBNKMT2AALDH1A1
SCHEMBL7364591 0.76 HSD17B10 (0.71) HSD17B10POLBCRBNKMT2AALDH1A1
SCHEMBL9661198 0.75 HSD17B10 (0.74) HSD17B10POLBCRBNKMT2AALDH1A1
SCHEMBL15143214 0.73 HSD17B10 (0.67) HSD17B10POLBCRBNKMT2AALDH1A1
SCHEMBL9661237 0.73 HSD17B10 (1.00) HSD17B10POLBCRBNKMT2AALDH1A1
SCHEMBL9660330 0.73 HSD17B10 (0.77) HSD17B10POLBCRBNKMT2AALDH1A1
SCHEMBL2797516 0.72 HSD17B10 (0.65) HSD17B10POLBCRBNKMT2AALDH1A1
SCHEMBL21505100 0.72 HSD17B10 (0.65) HSD17B10POLBCRBNKMT2AALDH1A1
SCHEMBL30149651 0.72 HSD17B10 (0.65) HSD17B10POLBKMT2AALDH1A1HPGD
SCHEMBL8628655 0.72 POLB (0.65) HSD17B10POLBCRBNKMT2AALDH1A1

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
EP-0668855-B1 SUBSTITUTED CYCLOPENTANE COMPOUNDS FOR USE AS CHELATING AGENTS AMERSHAM INT PLC (GB) 1998-06-24 EP disclosed