SCHEMBL28209725

SCHEMBL28209725

O=C(Oc1ccc2ccc(=O)oc2c1)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.57
▸ KDM4E B2RXH2 7/20 0.57
▸ ALDH1A1 P00352 6/20 0.57
▸ GLA P06280 4/20 0.57
▸ GAA P10253 4/20 0.57
▸ CA12 O43570 6/20 0.56
▸ CA9 Q16790 6/20 0.56
▸ POLB P06746 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ HSD17B10 Q99714 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ GBA1 P04062 2/20 0.49
▸ LMNA P02545 1/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA4 P22748 2/20 0.47
▸ CA6 P23280 2/20 0.47
▸ CA5A P35218 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA14 Q9ULX7 2/20 0.47
▸ CA3 P07451 1/20 0.47

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
SCHEMBL29373769 0.81 KDM4E (0.62) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL27481837 0.81 KDM4E (0.62) KMT2AKDM4EALDH1A1GLAGAA
Ethoxycoumarin SCHEMBL4574788 0.79 CA9 (0.63) KMT2AKDM4EALDH1A1GLAGAA
Glucuronate SCHEMBL14343105 0.76 KDM4E (0.59) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL19900163 0.76 KMT2A (0.87) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL1944338 0.75 CA12 (0.54) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL560234 0.74 ALDH1A1 (0.69) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL6753312 0.74 ALDH1A1 (0.69) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL3224389 0.74 TYR (0.41) KMT2AKDM4EGLAGAACA12
SCHEMBL2234966 0.74 TYR (0.41) KMT2AKDM4EGLAGAACA12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111684058-B Method for inducing differentiation from pluripotent stem cells into intestinal epithelial cells 公立大学法人名古屋市立大学 2023-07-28 — — CN disclosed
CN-113194951-A Topical formulations of DGAT1 inhibitors and methods of use thereof 德马万特科学股份有限公司 2021-07-30 — — CN disclosed
CN-111684058-A Method for inducing differentiation from pluripotent stem cells into intestinal epithelial cells 公立大学法人名古屋市立大学 2020-09-18 — — CN disclosed
CN-107949635-A For characterizing time-based hepatotoxic method 休雷尔公司 2018-04-20 — — CN disclosed
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