SCHEMBL3386408

SCHEMBL3386408

CCCCN(CCCC)C(CO)C(O)CN

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 4/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CETP P11597 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ GMNN O75496 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ UBE2N P61088 1/20 0.36
▸ SPHK2 Q9NRA0 2/20 0.33

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
SCHEMBL3650252 0.73 HTT (0.35) SPHK1HTT
SCHEMBL11213426 0.70 SPHK2 (0.35) SPHK1CETPSPHK2
SCHEMBL2454531 0.70 ALDH1A1 (0.36) SPHK1CYP2D6CETPHTTGMNN
SCHEMBL25856486 0.70 SPHK1 (0.41) SPHK1CYP2D6CETPHTTGMNN
SCHEMBL3650242 0.69 LMNA (0.38) SPHK1CYP2D6CETPHTTGMNN
SCHEMBL19092286 0.68 SPHK2 (0.33) SPHK1CETPSPHK2
SCHEMBL7778192 0.67 CA12 (0.33) LMNA
SCHEMBL7776738 0.67 FDPS (0.35) LMNA
SCHEMBL30353887 0.67 TDP1 (0.35) LMNA
SCHEMBL5435143 0.66 ALDH1A1 (0.36) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137504-A1 RADICAL COLD CURING OF SYNTHETIC RESINS BASED ON MODIFIED POLY(METH)ACRYLATES COMPRISING REACTIVE ETHYLENIC GROUPS ASHLAND-SUEDCHEMIE-KERNFEST GMBH (DE) 2010-06-03 — — US disclosed
Send feedback