SCHEMBL7440526

SCHEMBL7440526

COc1ccc(C(=O)N2CCC(NCC(O)C3COc4ccccc4O3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
POLB P06746 3/20 0.46
EPHX2 P34913 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD11B1 P28845 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
PRMT5 O14744 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL7438480 0.90 LMNA (0.44) EPHX2LMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL7431389 0.90 HPGD (0.51) POLBLMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL7435319 0.90 EPHX1 (0.47) EPHX2LMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL7436670 0.88 NPC1 (0.44) POLBEPHX2SMN1; SMN2KMT2APRMT5
SCHEMBL7438375 0.88 DRD3 (0.49) GAAPOLBEPHX2LMNASMN1; SMN2
SCHEMBL7438986 0.88 SMN1; SMN2 (0.50) GAAEPHX2LMNASMN1; SMN2L3MBTL1
SCHEMBL7440221 0.87 ALDH1A1 (0.47) GAALMNAL3MBTL1KMT2AALDH1A1
SCHEMBL7441435 0.85 L3MBTL1 (0.43) GAALMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7435567 0.85 TEAD1 (0.46) GAAEPHX2KMT2AHSD11B1PRMT5
SCHEMBL7439123 0.85 NPC1 (0.50) GAALMNASMN1; SMN2ALDH1A1NPC1

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