SCHEMBL27212329

SCHEMBL27212329

CC1(C)OB(c2ccc(NC(=O)O)c3c2CCO3)OC1(C)C

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.30
▸ F11 P03951 1/20 0.30
▸ PRSS1 P07477 1/20 0.30
▸ PRSS2 P07478 1/20 0.30
▸ PRSS3 P35030 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ CXCR2 P25025 1/20 0.30

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
SCHEMBL25128560 0.86 F2 (0.35) F2F11PRSS1PRSS2PRSS3
SCHEMBL30050648 0.84 AAK1 (0.38) HIF1A
SCHEMBL24822117 0.84 AAK1 (0.38) HIF1A
SCHEMBL24819195 0.76 LMNA (0.36) —
SCHEMBL30050646 0.76 LMNA (0.36) —
SCHEMBL29159707 0.74 LMNA (0.35) F2F11PRSS1PRSS2PRSS3
SCHEMBL29254037 0.72 LIPE (0.39) —
SCHEMBL2292922 0.72 HIF1A (0.41) F2F11PRSS1PRSS2PRSS3
SCHEMBL31304882 0.71 NPC1 (0.30) MTNR1B
SCHEMBL31304829 0.71 ALDH1A1 (0.35) MTNR1B

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
EP-4365183-A1 STEROID COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Jiangsu Simcere Pharmaceutical Co., Ltd. (CN) 2024-05-08 — — EP disclosed
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