SCHEMBL8203974

SCHEMBL8203974

C=C(C)C(=O)OC(C)COC(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
ALDH1A1 P00352 3/20 0.53
TSHR P16473 4/20 0.46
HPGD P15428 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DRD4 P21917 1/20 0.45
SLC6A2 P23975 1/20 0.45
CCKAR P32238 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
SCN1A P35498 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45

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
SCHEMBL23115524 0.89 TSHR (0.49) LMNAALDH1A1TSHRHPGDNPSR1
SCHEMBL8857473 0.81 LMNA (0.53) LMNAALDH1A1TSHRHPGDNPSR1
SCHEMBL8602983 0.81 LMNA (0.74) LMNAALDH1A1TSHRHPGDNPSR1
SCHEMBL20627019 0.80 KDM4E (0.42) LMNAALDH1A1TSHRHPGDNPSR1
SCHEMBL2951343 0.80 NAPRT (0.44) LMNAALDH1A1TSHRHPGDNPSR1
SCHEMBL13872067 0.80 LMNA (0.52) LMNAALDH1A1TSHRHPGDNPSR1
SCHEMBL14461675 0.79 LMNA (0.64) LMNAALDH1A1TSHRHPGDNPSR1
SCHEMBL1087332 0.79 NPC1 (0.60) LMNAALDH1A1TSHRHPGDNPSR1
SCHEMBL6569464 0.79 MAPT (0.44) LMNAALDH1A1TSHRSCN1ASCN2A
SCHEMBL8069981 0.77 MAPT (0.38) LMNAALDH1A1TSHRSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730615-B1 LOW-ODOUR ADHESIVE COMPOSITION COMPRISING URETHANE GROUP CONTAINING (METH)ACRYLATE HENKEL KGAA (DE) 2000-09-06 EP disclosed
US-5700891-A CONTAINS ACTIVATOR SYSTEM FOR FREE-RADICAL POLYMERIZATION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-12-23 US disclosed
EP-0730615-A1 LOW-ODOUR ADHESIVE COMPOSITION COMPRISING URETHANE GROUP CONTAINING (METH)ACRYLATE Henkel Kommanditgesellschaft auf Aktien (DE) 1996-09-11 EP disclosed
WO-1995014725-A1 LOW-ODOUR ADHESIVE COMPOSITION COMPRISING URETHANE GROUP CONTAINING (METH)ACRYLATE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-06-01 WO disclosed