SCHEMBL20075898

SCHEMBL20075898

CCOCCC(=O)N1CCN(c2ccc(CNC)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ ME2 P23368 1/20 0.49
▸ ME1 P48163 1/20 0.49
▸ ME3 Q16798 1/20 0.49
▸ MAPT P10636 13/20 0.48
▸ HTT P42858 4/20 0.48
▸ GAA P10253 5/20 0.47
▸ NCF1 P14598 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ ALOX12 P18054 2/20 0.46
▸ GFER P55789 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ HSP90AB1 P08238 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL20323922 0.89 ALDH1A1 (0.51) ALDH1A1ME2ME1ME3MAPT
SCHEMBL18551215 0.89 MAPT (0.46) ALDH1A1ME2ME1ME3MAPT
SCHEMBL30230328 0.88 MAPT (0.49) ALDH1A1ME2ME1ME3MAPT
SCHEMBL21026182 0.87 ME2 (0.49) ALDH1A1ME2ME1ME3MAPT
SCHEMBL27399979 0.83 NCF1 (0.48) ALDH1A1HTTNCF1KDM4EMAPK1
SCHEMBL16026436 0.77 NCF1 (0.57) ALDH1A1ME2ME1ME3MAPT
SCHEMBL18591763 0.77 MAPT (0.47) ALDH1A1ME2ME1ME3MAPT
SCHEMBL16043662 0.76 MAPT (0.53) ALDH1A1ME2ME1ME3MAPT
SCHEMBL23664609 0.75 SMN1; SMN2 (0.45) ALDH1A1ME2ME1ME3MAPT
SCHEMBL27980498 0.73 SMN1; SMN2 (0.68) ALDH1A1MAPTHTTNCF1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660004-B1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS INC (US) 2023-02-22 — — EP disclosed
EP-3689868-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas Operations, Inc. (US) 2020-08-05 — — EP disclosed
EP-3660004-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas Operations, Inc. (US) 2020-06-03 — — EP disclosed
WO-2018102725-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas, Inc. (US) 2018-06-07 — — WO disclosed
WO-2018071606-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. (US) 2018-04-19 — — WO disclosed
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