SCHEMBL9016875

SCHEMBL9016875

CCCCN(C=C(CCC)C(=O)O)C(=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 3/20 0.34
KDM5A P29375 8/20 0.33
KDM4C Q9H3R0 7/20 0.33
FAAH O00519 2/20 0.33
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PHF8 Q9UPP1 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4A O75164 1/20 0.31
DNM1 Q05193 1/20 0.31

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
SCHEMBL5610345 0.91 APEX1 (0.31) APEX1ALDH1A1
SCHEMBL2007137 0.76 CA1 (0.35) FAAHALDH1A1DNM1
SCHEMBL8755479 0.76 AKR1B1 (0.35) KDM5AKDM4CALDH1A1
Urethane SCHEMBL10427228 0.72 ALOX15 (0.40) KDM5AKDM4CFAAHPHF8DNM1
SCHEMBL16628825 0.71 HCAR2 (0.43) ALDH1A1
SCHEMBL8087451 0.69 TSHR (0.41) FAAHDNM1
SCHEMBL11492347 0.69 TSHR (0.41) FAAHDNM1
SCHEMBL876069 0.68 HDAC3 (0.40) ALDH1A1
SCHEMBL4346470 0.68 CA12 (0.50) ALDH1A1
SCHEMBL20165511 0.67 AKR1B1 (0.47) KDM5AKDM4CALDH1A1PHF8

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-0641846-B1 Odorless (meth)acrylate preparation curable by radical polymerisation THERA GES FUER PATENTE (DE) 1996-12-27 EP disclosed
EP-0641846-A1 Odorless (meth)acrylate preparation curable by radical polymerisation THERA Patent GmbH & Co. KG Gesellschaft für industrielle Schutzrechte (DE) 1995-03-08 EP disclosed