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Sugi Predict / Compounds / SCHEMBL1713345

SCHEMBL1713345

SCHEMBL1713345

C[C@H]1C[C@@](O)(C(F)(F)F)[C@@H](Nc2cccc3[nH]c(=O)ccc23)c2ccc(F)c(O)c21

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 7/20 0.75
▸ PGR P06401 3/20 0.75
▸ AR P10275 2/20 0.75
▸ TRPV1 Q8NER1 11/20 0.38

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
SCHEMBL1261458 1.00 NR3C1 (0.75) NR3C1PGRARTRPV1
SCHEMBL1261459 1.00 NR3C1 (0.75) NR3C1PGRARTRPV1
SCHEMBL1713344 1.00 NR3C1 (0.75) NR3C1PGRARTRPV1
SCHEMBL1261279 0.90 NR3C1 (0.65) NR3C1PGRARTRPV1
SCHEMBL1260330 0.90 NR3C1 (0.65) NR3C1PGRARTRPV1
SCHEMBL1261568 0.90 NR3C1 (0.65) NR3C1PGRARTRPV1
SCHEMBL1260141 0.90 NR3C1 (0.65) NR3C1PGRARTRPV1
SCHEMBL1261209 0.89 NR3C1 (0.84) NR3C1PGRARTRPV1
SCHEMBL1261273 0.89 NR3C1 (0.84) NR3C1PGRARTRPV1
SCHEMBL1261211 0.89 NR3C1 (0.84) NR3C1PGRARTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994005-B9 TETRAHYDRONAPHTHALINE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS Bayer Pharma AG (DE) 2012-01-11 — — EP claimed
EP-1994005-B1 TETRAHYDRONAPHTHALINE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2011-07-20 — — EP claimed