SCHEMBL27265014

SCHEMBL27265014

O=C(CCS)Oc1ccc2ccc(=O)oc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.62
CA12 O43570 8/20 0.62
CA9 Q16790 8/20 0.62
GLA P06280 6/20 0.62
GAA P10253 6/20 0.62
POLB P06746 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
ALDH1A1 P00352 6/20 0.61
HPGD P15428 3/20 0.61
MAPT P10636 2/20 0.61
HIF1A Q16665 1/20 0.61
KMT2A Q03164 5/20 0.57
GBA1 P04062 2/20 0.54
CA1 P00915 5/20 0.54
ATM Q13315 1/20 0.53
HSD17B10 Q99714 3/20 0.53
CA4 P22748 3/20 0.53
CA6 P23280 3/20 0.53
CA7 P43166 3/20 0.53
CA14 Q9ULX7 3/20 0.53

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
SCHEMBL15630442 0.86 KDM4E (0.62) KDM4ECA12CA9GLAGAA
SCHEMBL3989449 0.86 KMT2A (0.67) KDM4ECA12CA9GLAGAA
SCHEMBL28868227 0.84 KDM4E (0.61) KDM4ECA12CA9GLAGAA
SCHEMBL25543534 0.84 CA12 (0.69) KDM4ECA12CA9GLAGAA
SCHEMBL17090847 0.84 CA12 (0.68) KDM4ECA12CA9GLAGAA
SCHEMBL21043904 0.83 CA12 (0.59) KDM4ECA12CA9GLAGAA
SCHEMBL3469861 0.83 CA12 (0.66) KDM4ECA12CA9GLAGAA
SCHEMBL29961174 0.82 CA12 (0.66) KDM4ECA12CA9GLAGAA
SCHEMBL4769998 0.82 CA12 (0.70) KDM4ECA12CA9GLAGAA
SCHEMBL21043916 0.82 CA12 (0.64) KDM4ECA12CA9GLAGAA

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
WO-2024000240-A1 QUANTUM DOT MATERIAL, LIGHT-EMITTING DEVICE AND PREPARATION METHOD THEREFOR, AND DISPLAY APPARATUS 京东方科技集团股份有限公司 2024-01-04 WO disclosed