SCHEMBL9360748

SCHEMBL9360748

C=C(C)C(=O)OCCCCCNC(=O)CC

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
THRB P10828 1/20 0.46
FAAH O00519 1/20 0.45
ACHE P22303 11/20 0.45
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RECQL P46063 1/20 0.42

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
SCHEMBL9421255 0.93 TSHR (0.56) TSHRMEN1KMT2ATHRBFAAH
SCHEMBL11964784 0.86 THRB (0.52) TSHRMEN1KMT2ATHRBFAAH
SCHEMBL28536003 0.85 TSHR (0.54) TSHRMEN1KMT2ATHRBFAAH
SCHEMBL16385235 0.85 TSHR (0.62) TSHRTHRBACHEPOLBAPEX1
SCHEMBL16309328 0.85 TSHR (0.62) TSHRTHRBACHEPOLBAPEX1
SCHEMBL2720550 0.85 TSHR (0.62) TSHRTHRBACHEPOLBAPEX1
SCHEMBL16384917 0.85 TSHR (0.62) TSHRTHRBACHEPOLBAPEX1
SCHEMBL29100282 0.83 TSHR (0.61) TSHRTHRBACHEPOLBAPEX1
SCHEMBL29100295 0.83 TSHR (0.61) TSHRTHRBACHEPOLBAPEX1
SCHEMBL21301444 0.83 TSHR (0.53) TSHRTHRBFAAHACHEPOLB

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-0394787-B1 Compositions containing carbamide group containing (meth)acrylic acid esters for use as adhesive components for the treatment of collagenic materials in medicine, and preparation of the compositions BAYER AG (DE) 1994-06-08 EP disclosed
US-5300537-A Bonding dental fillings BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed