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SCHEMBL4594956

SCHEMBL4594956

CC(Cn1ccc2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)ccc21)C(=O)OC(=O)c1cccc(Cn2ccc3cc(C(=O)N4CC5(C)CC4CC(C)(C)C5)ccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ AVPR1A P37288 15/20 0.43
▸ AVPR2 P30518 11/20 0.43

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
SCHEMBL4594952 0.88 LMNA (0.49) LMNAMEN1ALDH1A1HTTKMT2A
SCHEMBL4204995 0.88 LMNA (0.53) LMNAMEN1ALDH1A1HTTKMT2A
SCHEMBL1308055 0.85 LMNA (0.56) LMNAMEN1ALDH1A1HTTKMT2A
SCHEMBL1307883 0.84 ALDH1A1 (0.55) LMNAMEN1ALDH1A1HTTKMT2A
SCHEMBL3454916 0.83 AVPR1A (0.56) LMNAMEN1ALDH1A1HTTKMT2A
SCHEMBL1306702 0.82 ALDH1A1 (0.53) LMNAMEN1ALDH1A1HTTKMT2A
SCHEMBL1307043 0.80 ALDH1A1 (0.55) LMNAMEN1ALDH1A1HTTKMT2A
SCHEMBL1307671 0.79 ALDH1A1 (0.53) LMNAMEN1ALDH1A1HTTKMT2A
SCHEMBL4594934 0.77 MEN1 (0.47) LMNAMEN1ALDH1A1HTTKMT2A
SCHEMBL3455696 0.77 ALDH1A1 (0.51) LMNAMEN1ALDH1A1HTTKMT2A

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-1945207-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES Transtech Pharma, Inc. (US) 2008-07-23 — — EP disclosed
WO-2007051811-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2007-05-10 — — WO disclosed