SCHEMBL28838097

SCHEMBL28838097

O=C(Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.56
▸ PIK3CB P42338 1/20 0.56
▸ ALK Q9UM73 2/20 0.51
▸ NPC1 O15118 8/20 0.47
▸ RAB9A P51151 8/20 0.47
▸ SMN1; SMN2 Q16637 7/20 0.47
▸ KDM4E B2RXH2 7/20 0.47
▸ HPGD P15428 6/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ POLB P06746 1/20 0.45
▸ GLA P06280 4/20 0.44
▸ GAA P10253 3/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ S1PR4 O95977 1/20 0.42
▸ S1PR1 P21453 1/20 0.42
▸ CASP1 P29466 1/20 0.42

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
SCHEMBL3172696 0.81 PIK3CD (0.67) PIK3CDPIK3CBALKNPC1RAB9A
SCHEMBL21133105 0.78 PIK3CD (0.65) PIK3CDPIK3CBALKNPC1RAB9A
SCHEMBL15086130 0.77 PIK3CD (0.58) PIK3CDPIK3CBALKNPC1RAB9A
SCHEMBL16312867 0.74 PIK3CD (0.65) PIK3CDPIK3CBALKNPC1RAB9A
SCHEMBL28209725 0.73 KMT2A (0.57) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL15065694 0.73 PIK3CD (0.74) PIK3CDPIK3CBALKNPC1RAB9A
SCHEMBL30165795 0.73 PIK3CD (0.74) PIK3CDPIK3CBALKNPC1RAB9A
SCHEMBL29427470 0.73 PIK3CD (1.00) PIK3CDPIK3CBALKNPC1RAB9A
SCHEMBL592311 0.73 PIK3CD (1.00) PIK3CDPIK3CBALKNPC1RAB9A
SCHEMBL29524563 0.73 PIK3CD (1.00) PIK3CDPIK3CBALKNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010777-A Probe substrate and fluorescence detection method for determining activity of beta-glucuronidase 安庆师范大学 2022-09-06 — — CN claimed
CN-115010777-A Probe substrate and fluorescence detection method for determining activity of beta-glucuronidase 安庆师范大学 2022-09-06 — — CN disclosed
CN-115010777-A Probe substrate and fluorescence detection method for determining activity of beta-glucuronidase 安庆师范大学 2022-09-06 — — CN disclosed
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