SCHEMBL1837665

SCHEMBL1837665

NCCCC(O)(CO)CCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.42
PDE3A Q14432 1/20 0.42
ODC1 P11926 2/20 0.33
NFKB1 P19838 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 2/20 0.32
BLM P54132 2/20 0.32
DNM1 Q05193 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4519666 0.81 LMNA (0.38) FDPSPDE3ATSHRLMNAALDH1A1
SCHEMBL31472002 0.80 FDPS (0.41) FDPSPDE3AODC1NFKB1CA12
SCHEMBL9556628 0.79 FDPS (0.50) FDPSPDE3AODC1NFKB1CA12
SCHEMBL9312417 0.76 FDPS (0.38) FDPSPDE3AODC1TSHRALDH1A1
SCHEMBL28285116 0.76 FDPS (0.30) FDPSPDE3A
SCHEMBL9870583 0.74 FDPS (0.41) FDPSPDE3AODC1TSHRDNM1
SCHEMBL14655732 0.73 FDPS (0.39) FDPSPDE3AODC1NFKB1CA12
SCHEMBL4082011 0.73 FDPS (0.39) FDPSPDE3AODC1NFKB1CA12
SCHEMBL13434821 0.73 FDPS (0.39) FDPSPDE3AODC1NFKB1CA12
SCHEMBL11694173 0.73 SMN1; SMN2 (0.33) TSHRLMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4313004-A CATALYTIC HYDROGENATION, BY-PRODUCT INHIBITION MILLIKEN RESEARCH CORPORATION (US) 1982-01-26 US claimed
CN-106103605-B Antifouling composition 佐敦集团 2018-06-12 CN disclosed
EP-1874370-B1 NON-DEGRADABLE LOW SWELLING, WATER SOLUBLE RADIOPAQUE HYDROGELS TRIVASCULAR INC (US) 2011-05-11 EP disclosed
US-5298618-A Macrocyclic oxamides TEXACO CHEMICAL COMPANY (US) 1994-03-29 US disclosed
US-4313004-A CATALYTIC HYDROGENATION, BY-PRODUCT INHIBITION MILLIKEN RESEARCH CORPORATION (US) 1982-01-26 US disclosed