SCHEMBL29159707

SCHEMBL29159707

CC1(C)OB(c2ccc(OC(N)=O)c3c2CCO3)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ F2 P00734 1/20 0.32
▸ F11 P03951 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SLC9A1 P19634 1/20 0.32
▸ SLC9A5 Q14940 1/20 0.32
▸ SLC9A2 Q9UBY0 1/20 0.32
▸ PARP1 P09874 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
SCHEMBL24819195 0.77 LMNA (0.36) LMNAMAPT
SCHEMBL30050646 0.77 LMNA (0.36) LMNAMAPT
SCHEMBL22721749 0.74 F11 (0.38) F2F11PRSS1PRSS2PRSS3
SCHEMBL29159710 0.74 PARP1 (0.35) F2F11PRSS1PRSS2PRSS3
SCHEMBL27212329 0.74 F2 (0.30) F2F11PRSS1PRSS2PRSS3
SCHEMBL29159708 0.73 KDM4E (0.37) LMNAMAPTKDM4EALDH1A1HSD17B10
SCHEMBL28934355 0.72 HIF1A (0.36) F2F11PRSS1PRSS2PRSS3
SCHEMBL29178922 0.72 MAPK1 (0.35) LMNAMAPT
SCHEMBL24822117 0.71 AAK1 (0.38) LMNA
SCHEMBL29208186 0.71 KDM4E (0.42) LMNAMAPTKDM4EALDH1A1HSD17B10

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
CN-117580849-A Steroid compound, pharmaceutical composition and application thereof 江苏先声药业有限公司 2024-02-20 — — CN disclosed
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