SCHEMBL252458

SCHEMBL252458

NC(=O)CCCCC(N)=O.[LiH].[LiH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
TP53 P04637 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
SOAT1 P35610 2/20 0.46
MEN1 O00255 2/20 0.46
FAAH O00519 1/20 0.46
LMNA P02545 5/20 0.44
PMP22 Q01453 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALOX15 P16050 3/20 0.44
BLM P54132 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
RECQL P46063 2/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL125606 0.96 KMT2A (0.48) KMT2ATP53CYP1A2CYP3A4CYP2C19
SCHEMBL699936 0.92 KMT2A (0.52) KMT2ATP53CYP1A2CYP3A4CYP2C19
SCHEMBL42735 0.92 KMT2A (0.52) KMT2ATP53CYP1A2CYP3A4CYP2C19
SCHEMBL14760174 0.92 KMT2A (0.52) KMT2ATP53CYP1A2CYP3A4CYP2C19
SCHEMBL25293705 0.92 KMT2A (0.52) KMT2ATP53CYP1A2CYP3A4CYP2C19
SCHEMBL25293609 0.92 KMT2A (0.52) KMT2ATP53CYP1A2CYP3A4CYP2C19
SCHEMBL15007818 0.92 KMT2A (0.52) KMT2ATP53CYP1A2CYP3A4CYP2C19
SCHEMBL25288050 0.92 KMT2A (0.52) KMT2ATP53CYP1A2CYP3A4CYP2C19
SCHEMBL727151 0.92 KMT2A (0.52) KMT2ATP53CYP1A2CYP3A4CYP2C19
SCHEMBL517606 0.92 KMT2A (0.52) KMT2ATP53CYP1A2CYP3A4CYP2C19

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-3478726-B1 BULKPOLYMERISATION PROCESS FOR THE PREPARATION OF POLYDIENES FRAUNHOFER GES FORSCHUNG (DE) 2020-05-27 EP disclosed
US-20190202944-A1 BULKPOLYMERISATION PROCESS FOR THE PREPARATION OF POLYDIENES FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2019-07-04 US disclosed
EP-3263606-A1 BULKPOLYMERISATION PROCESS FOR THE PREPARATION OF POLYDIENES Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2018-01-03 EP disclosed
US-20120004379-A1 Initiator system for synthesizing high-vinyl diene rubbers, a method for producing high-vinyl diene rubbers, and use thereof to produce high-vinyl diene rubbers LANXESS DEUTSCHLAND GMBH (DE) 2012-01-05 US disclosed