SCHEMBL10147958

SCHEMBL10147958

CC(=O)NCC1CCC(CN)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
TPSAB1 Q15661 2/20 0.48
TPSD1 Q9BZJ3 2/20 0.48
TPSG1 Q9NRR2 2/20 0.48
PLG P00747 1/20 0.47
PLAT P00750 1/20 0.47
LMNA P02545 1/20 0.47
F10 P00742 3/20 0.40
PRSS1 P07477 3/20 0.40
CACNA1H O95180 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALOX15 P16050 1/20 0.39
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
HPGD P15428 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
SCHEMBL14013458 1.00 CYP2D6 (0.56) CYP2D6TDP1TPSAB1TPSD1TPSG1
Tranexamic Acid SCHEMBL2569232 0.89 PLG (0.67) CYP2D6TDP1TPSAB1TPSD1TPSG1
SCHEMBL48633 0.89
SCHEMBL13165688 0.89 TDP1 (0.58) CYP2D6TDP1CACNA1HNPC1RAB9A
Hydrochloric Acid SCHEMBL4553435 0.87
SCHEMBL10106981 0.83 TDP1 (0.52) CYP2D6TDP1CACNA1HNPC1RAB9A
SCHEMBL10147959 0.81 CYP2D6 (0.50) CYP2D6TDP1TPSAB1TPSD1TPSG1
SCHEMBL23136944 0.81 TDP1 (0.50) CYP2D6TDP1CACNA1HALOX15EPHX1
SCHEMBL14438969 0.81 TDP1 (0.50) CYP2D6TDP1CACNA1HNPC1RAB9A
SCHEMBL4761476 0.81 TDP1 (0.50) CYP2D6TDP1CACNA1HALOX15EPHX1

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
US-8106131-B2 Hydrolytically stable maleimide-terminated polymers NEKTAR THERAPEUTICS (US) 2012-01-31 US disclosed
US-20090012241-A1 Hydrolytically stable maleimide-terminated polymers NEKTAR THERAPEUTICS AL, CORPORATION (US) 2009-01-08 US disclosed
US-7432331-B2 Hydrolytically stable maleimide-terminated polymers NEKTAR THERAPEUTICS AL, CORPORATION (US) 2008-10-07 US disclosed