SCHEMBL4058277

SCHEMBL4058277

COCCN[C@H](C(=O)O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 1/20 0.36
ATM Q13315 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PLA2G2A P14555 1/20 0.34
PLA2G5 P39877 1/20 0.34
PTGER4 P35408 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
SCHEMBL35210732 0.89 TSHR (0.43) POLBSMN1; SMN2HPGDKDM4EPPARG
SCHEMBL4622349 0.83 SMN1; SMN2 (0.46) POLBSMN1; SMN2NPSR1HPGDALDH1A1
SCHEMBL17292410 0.82 ALDH1A1 (0.37) NPSR1HPGDKDM4EATMALDH1A1
SCHEMBL6443647 0.81 POLB (0.38) POLBSMN1; SMN2NPSR1HPGDKDM4E
SCHEMBL6443648 0.81 POLB (0.38) POLBSMN1; SMN2NPSR1HPGDKDM4E
SCHEMBL15330340 0.79 ALDH1A1 (0.41) HPGDKDM4EATMALDH1A1PTGER4
SCHEMBL15091742 0.79 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1ALDH1A1CA12CA14
SCHEMBL15289820 0.79 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1ALDH1A1CA12CA14
SCHEMBL20813495 0.78 TSHR (0.44) SMN1; SMN2NPSR1KDM4EALDH1A1CA12
SCHEMBL24964950 0.77 SMN1; SMN2 (0.50) POLBSMN1; SMN2NPSR1PPARGPPARA

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
WO-2009120358-A1 OLIGOMER-NITROGENOUS BASE CONJUGATES NEKTAR THERAPEUTICS (US) 2009-10-01 WO disclosed