SCHEMBL7307978

SCHEMBL7307978

CCCCCN(Cc1ccccc1)C(=O)CCCOc1ccc([N+](=O)[O-])c(C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 3/20 0.43
CNR2 P34972 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA4 P22748 2/20 0.41
BACE1 P56817 1/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL7308032 0.91 LMNA (0.51) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL10376795 0.91 SIRT5 (0.44) LMNAMAPK1ALDH1A1SIRT5SMN1; SMN2
SCHEMBL10374480 0.90 SIRT5 (0.43) LMNAMAPK1ALDH1A1SIRT5SMN1; SMN2
SCHEMBL7316362 0.90 LMNA (0.44) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL10377100 0.87 LMNA (0.47) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL10374705 0.87 THRA (0.44) LMNAMAPK1SIRT5THRATHRB
SCHEMBL10374589 0.86 RAB9A (0.45) LMNAMAPK1NPC1ALDH1A1SIRT5
SCHEMBL10375783 0.86 MAPT (0.41) LMNAMAPK1ALDH1A1SIRT5SMN1; SMN2
SCHEMBL10753639 0.86 LMNA (0.47) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7304356 0.85 PDE3B (0.46) LMNAMAPK1NPC1ALOX15TSHR

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed