SCHEMBL31495927

SCHEMBL31495927

[2H]C([2H])([2H])C([2H])([2H])c1cc(OCc2ccccc2)c(F)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.38
▸ MRGPRX4 Q96LA9 3/20 0.33
▸ PTGER1 P34995 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ KDM1A O60341 5/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HTR1A P08908 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ ERN1 O75460 1/20 0.31

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
SCHEMBL29652912 0.86 DGAT1 (0.40) DGAT1MRGPRX4PTGER1S1PR5KDM1A
SCHEMBL17258894 0.86 DGAT1 (0.40) DGAT1MRGPRX4PTGER1S1PR5KDM1A
SCHEMBL17258921 0.83 DGAT1 (0.38) DGAT1MRGPRX4S1PR5KDM1AL3MBTL1
SCHEMBL29653247 0.82 DGAT1 (0.41) DGAT1MRGPRX4S1PR5KDM1AL3MBTL1
SCHEMBL21835735 0.82 DGAT1 (0.41) DGAT1MRGPRX4S1PR5KDM1AL3MBTL1
SCHEMBL27262838 0.81 EGFR (0.42) DGAT1MRGPRX4MAPK1HTR1AERN1
SCHEMBL30746198 0.81 EGFR (0.42) DGAT1MRGPRX4MAPK1HTR1AERN1
SCHEMBL31473340 0.77 MEN1 (0.41) MRGPRX4PTGER1KDM1AL3MBTL1MAPT
SCHEMBL27090098 0.75 DGAT1 (0.40) DGAT1MRGPRX4PTGER1S1PR5KDM1A
SCHEMBL30809615 0.75 MRGPRX4 (0.45) DGAT1MRGPRX4KDM1AL3MBTL1BRD4

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-2025036296-A1 JAK INHIBITOR COMPOUND AND USE THEREOF 迈英诺医药科技(珠海)有限公司 2025-02-20 — — WO disclosed
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