SCHEMBL4909269

SCHEMBL4909269

CCCCC(CC)CN(CCN)CC(CC)CCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TDP1 Q9NUW8 2/20 0.54
CYP3A4 P08684 5/20 0.47
TSHR P16473 5/20 0.47
PLA2G1B P04054 2/20 0.37
PLA2G2A P14555 1/20 0.37
CA2 P00918 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL5574833 0.90 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRPLA2G1B
SCHEMBL7575682 0.87 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL28180396 0.87 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRPLA2G1B
SCHEMBL1397305 0.86 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRPLA2G1B
SCHEMBL27892763 0.85 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4TSHRPLA2G1B
SCHEMBL4366899 0.85 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRPLA2G1B
SCHEMBL4371967 0.85 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRPLA2G1B
SCHEMBL21701077 0.84 PLA2G1B (0.50) ALDH1A1TDP1TSHRPLA2G1BPLA2G2A
SCHEMBL27892750 0.84 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRPLA2G1B
SCHEMBL4913060 0.84 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4TSHRPLA2G1B

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 6 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
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 claimed
CN-101168601-B Crosslinkers for improving stability of polyurethane foams AIR PROD & CHEM 2013-03-06 CN 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
CN-101168601-B Crosslinkers for improving stability of polyurethane foams AIR PROD & CHEM 2013-03-06 CN disclosed