SCHEMBL13844356

SCHEMBL13844356

CCCCC(CC)COCC(O)CN1CCN(CCN2CCN(C)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
GLA P06280 1/20 0.45
ALDH1A1 P00352 3/20 0.43
USP2 O75604 3/20 0.43
ALOX15 P16050 1/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.40
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL13844251 0.85 ALDH1A1 (0.38) KDM4EGLAALDH1A1USP2ALOX15
SCHEMBL13924017 0.80 KDM4E (0.55) KDM4EGLAALDH1A1USP2ALOX15
SCHEMBL13844238 0.79 ALDH1A1 (0.34) ALDH1A1USP2CYP3A4TSHRATM
SCHEMBL10005231 0.79 KDM4E (0.64) KDM4EGLAALDH1A1USP2ALOX15
SCHEMBL13844362 0.78 ALDH1A1 (0.36) KDM4EALDH1A1USP2ALOX15LMNA
SCHEMBL24319163 0.77 KDM4E (0.48) KDM4EGLAALDH1A1USP2ALOX15
SCHEMBL24319450 0.77 KDM4E (0.48) KDM4EGLAALDH1A1USP2ALOX15
SCHEMBL21477194 0.77 KDM4E (0.57) KDM4EGLAALDH1A1USP2ALOX15
SCHEMBL21477058 0.77 KDM4E (0.57) KDM4EGLAALDH1A1USP2ALOX15
SCHEMBL20214875 0.76 CHRM2 (0.51) KDM4EGLAALDH1A1USP2CYP3A4

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
EP-1702913-B1 Blowing catalyst compositions containing hydroxyl and surface active groups for the production of polyurethane foams AIR PROD & CHEM (US) 2009-05-13 EP disclosed
US-7495131-B2 Blowing catalyst compositions containing hydroxyl and surface active groups for the production of polyurethane foams AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-02-24 US disclosed
US-7495131-B2 Blowing catalyst compositions containing hydroxyl and surface active groups for the production of polyurethane foams AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-02-24 US disclosed