SCHEMBL20628847

SCHEMBL20628847

C=C(C)C(=O)OCC(C)OC(=O)Nc1ccc(Cc2ccc(NC(=O)OC(C)COCC(C)OC(=O)Nc3ccc(Cc4ccc(NC(=O)OC(C)COC)cc4)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
CYP17A1 P05093 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KLK7 P49862 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL20626971 0.96 TSHR (0.43) MAPTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL20626889 0.92 TSHR (0.46) MAPTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL20077658 0.92 TSHR (0.46) MAPTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL22639549 0.91 MAPT (0.45) MAPTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL20077630 0.89 TSHR (0.41) MAPTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL20627019 0.88 KDM4E (0.42) MAPTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL22648785 0.88 TSHR (0.42) MAPTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL20629606 0.87 RAB9A (0.44) MAPTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL20627674 0.87 MAPT (0.41) MAPTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL23397212 0.85 TSHR (0.40) MAPTTSHRSMN1; SMN2RAB9ANPC1

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
WO-2019007725-A1 BRANCHED URETHANE METHACRYLATE COMPOUNDS AND USE THEREOF HILTI AKTIENGESELLSCHAFT (LI) 2019-01-10 WO disclosed
WO-2019007693-A1 REACTIVE RESINS CONTAINING URETHANE METHACRYLATE COMPOUNDS, REACTIVE RESIN COMPONENTS AND REACTIVE RESIN SYSTEMS AND USE THEREOF HILTI AKTIENGESELLSCHAFT (LI) 2019-01-10 WO disclosed
EP-3424970-A1 BRANCHED URETHANE METHACRYLATE COMPOUNDS AND THEIR USE HILTI Aktiengesellschaft (LI) 2019-01-09 EP disclosed