SCHEMBL4914652

SCHEMBL4914652

CC(C)CNCCNCCNCCN(CCN)CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 3/20 0.33
ANPEP P15144 1/20 0.31
LMNA P02545 2/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
ALOX15 P16050 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 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
SCHEMBL4919954 1.00 CYP2C9 (0.39) CYP2C9CYP2C19TDP1ANPEPLMNA
SCHEMBL4911552 0.96 CYP2C9 (0.38) CYP2C9CYP2C19TDP1ANPEP
SCHEMBL22225399 0.92 CYP2C9 (0.44) CYP2C9CYP2C19TDP1LMNACA12
SCHEMBL22078772 0.87 CYP2C19 (0.37) CYP2C9CYP2C19TDP1ANPEPALDH1A1
SCHEMBL25137179 0.86 CYP2C9 (0.44) CYP2C9CYP2C19TDP1ANPEPLMNA
SCHEMBL25098003 0.86 CYP2C9 (0.48) CYP2C9CYP2C19TDP1LMNACA12
SCHEMBL21483630 0.84 CYP2C9 (0.50) CYP2C9CYP2C19TDP1LMNACA12
SCHEMBL19781883 0.84 CYP2C9 (0.50) CYP2C9CYP2C19TDP1LMNACA12
SCHEMBL6141821 0.83 CYP1A2 (0.32) CYP2C19ANPEPALDH1A1
SCHEMBL10379393 0.81 CYP2C19 (0.56) CYP2C9CYP2C19TDP1LMNACA12

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP claimed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP claimed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US claimed
EP-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP disclosed
US-8552078-B2 Non-fugitive tertiary amine catalyst and alkylated polyamine crosslinking additives; aging resistance AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-10-08 US disclosed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP disclosed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US disclosed