Sugi Predict

Sugi Predict / Compounds / SCHEMBL9469845

SCHEMBL9469845

SCHEMBL9469845

CC1(C)COC2(CCC3=C4[C@@H](CC[C@@]3(O)C2)[C@@H]2CC[C@](O)(CCCOC3CCCCO3)[C@]2(C)C[C@@H]4c2ccc(-c3cncnc3)cc2)OC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 4/20 0.32
▸ NR3C1 P04150 2/20 0.32
▸ AR P10275 2/20 0.32
▸ NR3C2 P08235 1/20 0.32

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
SCHEMBL9471536 0.93 PGR (0.38) PGRNR3C1ARNR3C2
SCHEMBL9148746 0.90 NR3C1 (0.32) PGRNR3C1ARNR3C2
SCHEMBL9145522 0.90 NR3C1 (0.34) PGRNR3C1ARNR3C2
SCHEMBL9146581 0.90 NR3C1 (0.32) PGRNR3C1ARNR3C2
SCHEMBL10936972 0.89 NR3C1 (0.35) PGRNR3C1ARNR3C2
SCHEMBL10939796 0.89 NR3C1 (0.43) PGRNR3C1ARNR3C2
SCHEMBL9146167 0.88 NR3C1 (0.35) PGRNR3C1ARNR3C2
SCHEMBL10938405 0.88 NR3C1 (0.35) PGRNR3C1ARNR3C2
SCHEMBL10939617 0.87 NR3C1 (0.35) PGRNR3C1ARNR3C2
SCHEMBL10939814 0.87 NR3C1 (0.33) PGRNR3C1ARNR3C2

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
US-5273971-A A 3-keto or 3-hydroxyimino-4,9-diene derivative SCHERING AKTIENGESELLSCHAFT (DE) 1993-12-28 — — US disclosed
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