SCHEMBL7439160

SCHEMBL7439160

COc1cc(C(C(N)=O)N2CCC(NCC(O)C3COc4ccccc4O3)CC2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
LMNA P02545 2/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA4 P22748 3/20 0.40
DPP4 P27487 3/20 0.40
CA5A P35218 3/20 0.40
CA9 Q16790 3/20 0.40
CA5B Q9Y2D0 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7431674 0.88 LMNA (0.42) NPC1LMNAL3MBTL1KDM4EALDH1A1
SCHEMBL7439458 0.86 MAPT (0.40) LMNAKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL7429333 0.86 MAPT (0.37) NPC1LMNASMN1; SMN2MAPTNPSR1
SCHEMBL7443120 0.85 LMNA (0.41) NPC1LMNAL3MBTL1KDM4EALDH1A1
SCHEMBL7428117 0.85 LMNA (0.43) NPC1LMNAL3MBTL1ALDH1A1HPGD
SCHEMBL7433758 0.84 NPC1 (0.38) NPC1LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL7441214 0.84 GAA (0.41) NPC1LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL7440244 0.84 ADRB2 (0.38) LMNAKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL7440221 0.83 ALDH1A1 (0.47) NPC1LMNAL3MBTL1KDM4EALDH1A1
SCHEMBL7434347 0.83 MAPT (0.37) LMNAALDH1A1SMN1; SMN2MAPTNPSR1

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed