SCHEMBL17677382

SCHEMBL17677382

Cc1cc2c(c(OCC3CC3)c(C(=O)O)n2C)c(=O)n1CC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 4/20 0.47
▸ SMO Q99835 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL17677407 0.92 SMO (0.47) PDE4BSMOLMNA
SCHEMBL1061851 0.89 SMO (0.58) PDE4BSMONPC1RAB9A
SCHEMBL1061384 0.87 LMNA (0.47) SMOLMNANPC1RAB9A
SCHEMBL1058238 0.87 LMNA (0.49) PDE4BLMNANPC1RAB9A
SCHEMBL1061569 0.85 LMNA (0.46) PDE4BSMOLMNANPC1RAB9A
SCHEMBL1060628 0.83 SMO (0.54) SMOLMNANPC1RAB9A
SCHEMBL1061487 0.83 SMO (0.56) PDE4BSMOLMNA
SCHEMBL17677384 0.80 SMO (0.47) SMOLMNANPC1RAB9A
SCHEMBL27854593 0.80 LMNA (0.51) LMNANPC1RAB9A
SCHEMBL1062446 0.80 KMT2A (0.50) SMOLMNANPC1RAB9A

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-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 — — EP disclosed
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