SCHEMBL8965517

SCHEMBL8965517

COc1cc2c(cc1-c1nc3cc(-c4ccccc4)ccc3o1)oc1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
ALOX5 P09917 1/20 0.49
PDE10A Q9Y233 3/20 0.48
AGPAT2 O15120 1/20 0.48
PTGS2 P35354 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.47
HPSE Q9Y251 2/20 0.46
HPGD P15428 5/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL8965246 0.85 NPC1 (0.55) NPC1ALOX5PDE10AAGPAT2PTGS2
SCHEMBL8965198 0.83 KDM6B (0.48) NPC1AGPAT2PTGS2L3MBTL1GAA
SCHEMBL5834311 0.79 MAPT (0.53) NPC1ALOX5AGPAT2PTGS2L3MBTL1
SCHEMBL12203168 0.79 KMT2A (0.58) NPC1GAAHPGDKDM4ESMN1; SMN2
SCHEMBL23079758 0.77 NPC1 (0.55) NPC1L3MBTL1GAAHPSEHPGD
SCHEMBL27049432 0.77 NPC1 (0.55) NPC1L3MBTL1GAAHPSEHPGD
SCHEMBL27049405 0.76 NPC1 (0.50) NPC1L3MBTL1GAAHPSEHPGD
SCHEMBL27049425 0.76 NPC1 (0.53) NPC1L3MBTL1GAAHPSEHPGD
SCHEMBL23079787 0.75 NPC1 (0.58) NPC1L3MBTL1GAAHPGDKDM4E
SCHEMBL23079822 0.75 NPC1 (0.58) NPC1L3MBTL1GAAHPGDKDM4E

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-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed