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Sugi Predict / Compounds / SCHEMBL8536352

SCHEMBL8536352

SCHEMBL8536352

CN1CC=C(c2nccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 2/20 0.42
▸ RARB P10826 2/20 0.42
▸ QDPR P09417 2/20 0.40
▸ GSK3B P49841 4/20 0.39
▸ DYRK1A Q13627 4/20 0.39
▸ WNT1 P04628 3/20 0.39
▸ RARG P13631 1/20 0.37

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
SCHEMBL8515301 0.94 NPC1 (0.40) RARARARBQDPRGSK3BDYRK1A
SCHEMBL8514253 0.74 NPC1 (0.55) RARARARBRARG
SCHEMBL15345162 0.72 QDPR (0.45) QDPR
SCHEMBL8510213 0.72 RARA (0.50) RARARARBRARG
SCHEMBL15341851 0.71 QDPR (0.42) QDPR
SCHEMBL16998453 0.70 CCR1 (0.50) RARARARBRARG
SCHEMBL8511483 0.70 RARB (0.46) RARARARBRARG
SCHEMBL8512804 0.70 RARA (0.49) RARARARBRARG
SCHEMBL8515212 0.70 ALDH1A1 (0.42) RARARARBQDPRRARG
SCHEMBL8515254 0.69 RARB (0.51) RARARARBRARG

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
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 — — WO disclosed
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 — — WO disclosed
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