SCHEMBL4419391

SCHEMBL4419391

OCCCCN1CCCN2CCCN=C12

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
USP2 O75604 1/20 0.31
INMT O95050 1/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL22106057 0.91 USP2 (0.35) ALDH1A1USP2INMTCYP3A4CYP2C19
SCHEMBL22106056 0.90 ALDH1A1 (0.36) ALDH1A1USP2INMTCYP3A4CYP2C19
SCHEMBL22106055 0.90 ALDH1A1 (0.36) ALDH1A1USP2INMTCYP3A4CYP2C19
SCHEMBL4563234 0.88 MEN1 (0.36) USP2INMTMEN1CYP3A4CYP2C9
SCHEMBL23075888 0.88 USP2 (0.35) ALDH1A1USP2INMTCYP3A4CYP2C19
SCHEMBL8368647 0.83 ALDH1A1 (0.45) ALDH1A1MEN1CYP3A4CYP2C19KMT2A
SCHEMBL17217520 0.82 ALDH1A1 (0.47) ALDH1A1MEN1CYP3A4CYP2C19KMT2A
SCHEMBL253401 0.82 ALDH1A1 (0.47) ALDH1A1MEN1CYP3A4CYP2C19KMT2A
SCHEMBL250783 0.82 ALDH1A1 (0.47) ALDH1A1MEN1CYP3A4CYP2C19KMT2A
SCHEMBL9131907 0.82 ALDH1A1 (0.47) ALDH1A1MEN1CYP3A4CYP2C19KMT2A

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-2099551-A2 EXTRACTION MEDIUM USED IN A METHOD FOR CAPTURING CARBON DIOXIDE CONTAINED IN A GASEOUS EFFLUENT IFP (FR) 2009-09-16 EP claimed
WO-2008068411-A2 EXTRACTION MEDIUM USED IN A METHOD FOR CAPTURING CARBON DIOXIDE CONTAINED IN A GASEOUS EFFLUENT IFP (FR) 2008-06-12 WO claimed
EP-2099551-A2 EXTRACTION MEDIUM USED IN A METHOD FOR CAPTURING CARBON DIOXIDE CONTAINED IN A GASEOUS EFFLUENT IFP (FR) 2009-09-16 EP disclosed
WO-2008068411-A2 EXTRACTION MEDIUM USED IN A METHOD FOR CAPTURING CARBON DIOXIDE CONTAINED IN A GASEOUS EFFLUENT IFP (FR) 2008-06-12 WO disclosed