SCHEMBL4913060

SCHEMBL4913060

CCCCC(CC)CNCCN(CCN)CC(CC)CCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TSHR P16473 4/20 0.53
CYP3A4 P08684 2/20 0.53
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.38
HTT P42858 2/20 0.32
GLA P06280 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
LMNA P02545 2/20 0.30
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PLA2G1B P04054 1/20 0.30
PLA2G2A P14555 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 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
SCHEMBL4914942 0.97 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL4908764 0.97 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL27892763 0.84 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL4909269 0.84 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL27892750 0.83 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL197951 0.82 ALDH1A1 (0.72) ALDH1A1TSHRCYP3A4TDP1KDM4E
Ethylenediamine SCHEMBL5032271 0.80 ALDH1A1 (0.69) ALDH1A1TSHRCYP3A4TDP1KDM4E
Hydrochloric Acid SCHEMBL28431270 0.80 ALDH1A1 (0.69) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL1397305 0.79 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL4917085 0.79 ALDH1A1 (0.67) ALDH1A1TSHRCYP3A4TDP1KDM4E

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