SCHEMBL11147692

SCHEMBL11147692

CCC=C(C)C(=O)ONC(=O)CCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.44
CNR2 P34972 2/20 0.44
HSP90AA1 P07900 1/20 0.44
FAAH O00519 7/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
DNM1 Q05193 2/20 0.41
POLB P06746 1/20 0.41
POLA1 P09884 1/20 0.41
SLC6A5 Q9Y345 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SOAT1 P35610 1/20 0.38
CNR1 P21554 1/20 0.37

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
SCHEMBL27720101 0.81 HSP90AA1 (0.55) TRPV1CNR2HSP90AA1FAAHMEN1
SCHEMBL27699570 0.81 HSP90AA1 (0.55) TRPV1CNR2HSP90AA1FAAHMEN1
SCHEMBL30513275 0.80 TSHR (0.53) TRPV1CNR2HSP90AA1FAAHMEN1
SCHEMBL26660363 0.78 MGAM (0.31)
SCHEMBL10951627 0.78 HSP90AA1 (0.55) TRPV1CNR2HSP90AA1FAAHMEN1
SCHEMBL10957116 0.78 HSP90AA1 (0.55) TRPV1CNR2HSP90AA1FAAHMEN1
SCHEMBL9739970 0.78 HSP90AA1 (0.55) TRPV1CNR2HSP90AA1FAAHMEN1
SCHEMBL31261502 0.78 HSP90AA1 (0.55) TRPV1CNR2HSP90AA1FAAHMEN1
SCHEMBL31261504 0.76 HSP90AA1 (0.52) TRPV1CNR2HSP90AA1FAAHMEN1
SCHEMBL11210580 0.76

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-0035291-B1 PROCESS FOR CARRYING OUT RADICAL REACTIONS AND SHAPED ARTICLES OF THE REACTION PRODUCT AKZO N.V. (NL) 1983-05-11 EP disclosed
US-4374938-A HYDROXIMIC ACID DERIVATIVE AS FREE RADICAL INITIATOR AKZONA INCORPORATED (US) 1983-02-22 US disclosed
US-4347342-A Process for initiating radical reactions employing hydroximic acid derivatives AKZONA INCORPORATED (US) 1982-08-31 US disclosed