SCHEMBL20463183

SCHEMBL20463183

CNC(=O)CCCOCCCOCCNC(=O)CCCCOCCOC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.50
▸ HPGD P15428 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ EPHX2 P34913 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ RECQL P46063 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ENPP2 Q13822 1/20 0.36
▸ LPAR1 Q92633 1/20 0.36
▸ LPAR2 Q9HBW0 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GLA P06280 1/20 0.35

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
SCHEMBL20322418 1.00 TSHR (0.50) TSHRHPGDSMN1; SMN2HTTMEN1
SCHEMBL20234548 0.95 TSHR (0.56) TSHRHPGDSMN1; SMN2HTTMEN1
SCHEMBL20330043 0.94 TSHR (0.54) TSHRHPGDSMN1; SMN2HTTMEN1
SCHEMBL21649546 0.93 TSHR (0.49) TSHRHPGDSMN1; SMN2HTTMEN1
SCHEMBL20325455 0.91 TSHR (0.54) TSHRHPGDSMN1; SMN2HTTMEN1
SCHEMBL20322419 0.91 TSHR (0.57) TSHRHPGDSMN1; SMN2HTTMEN1
SCHEMBL16216957 0.89 TSHR (0.64) TSHRHPGDSMN1; SMN2HTTMEN1
SCHEMBL20234543 0.89 TSHR (0.47) TSHRHPGDSMN1; SMN2HTTMEN1
SCHEMBL20443511 0.88 TSHR (0.46) TSHRHPGDSMN1; SMN2HTTMEN1
SCHEMBL20372893 0.88 TSHR (0.54) TSHRHPGDSMN1; SMN2HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689868-B1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS INC (US) 2023-09-27 — — EP disclosed
WO-2019199816-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2019-10-17 — — WO disclosed
WO-2018144649-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME Arvinas, Inc. (US) 2018-08-09 — — WO disclosed
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