SCHEMBL3414636

SCHEMBL3414636

C/C=C/C(=O)OC(=O)CCCCCCCCC.CCCCCCCCN(CCCCCCCC)CCCCCCCC.CCCCCCCCN(CCCCCCCC)CCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.43
KDM5A P29375 4/20 0.42
PHF8 Q9UPP1 2/20 0.42
KDM4C Q9H3R0 1/20 0.42
DGKA P23743 1/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.40
POLA1 P09884 1/20 0.40
PAM P19021 2/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
ICMT O60725 1/20 0.37
ALB P02768 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NAAA Q02083 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL27674793 0.91 DGKA (0.50) DNM1DGKATSHRLMNAPOLB
SCHEMBL28099338 0.91 DGKA (0.50) DNM1DGKATSHRLMNAPOLB
SCHEMBL3410982 0.84 DGKA (0.53) DNM1KDM5APHF8KDM4CDGKA
SCHEMBL27158034 0.84 ALDH1A1 (0.43) DGKATSHRLMNAPOLBPOLA1
SCHEMBL11654842 0.83 TERT (0.53) DGKALMNAPOLBMAPT
SCHEMBL3412676 0.82 DGKA (0.52) DNM1KDM5APHF8KDM4CDGKA
SCHEMBL5954671 0.82 DGKA (0.55) DGKATSHRLMNAPOLBPOLA1
SCHEMBL5954675 0.82 DGKA (0.55) DGKATSHRLMNAPOLBPOLA1
SCHEMBL1304408 0.82 DGKA (0.55) DGKATSHRLMNAPOLBPOLA1
SCHEMBL5308542 0.82 DGKA (0.55) DGKATSHRLMNAPOLBPOLA1

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-2265617-A1 SOLVENTS Bioniqs Limited (GB) 2010-12-29 EP disclosed
WO-2009034329-A1 SOLVENTS BIONIQS LIMITED (GB) 2009-03-19 WO disclosed