SCHEMBL9682455

SCHEMBL9682455

COc1ccc(COc2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
POLB P06746 1/20 0.64
MAOB P27338 1/20 0.64
PARP10 Q53GL7 1/20 0.62
MAPT P10636 3/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
FFAR1 O14842 2/20 0.58
PLA2G4B P0C869 1/20 0.57
LMNA P02545 3/20 0.56
GAA P10253 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
APP P05067 2/20 0.54
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
CYP1A2 P05177 1/20 0.51

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
SCHEMBL12353119 0.94 MAOB (0.71) SMN1; SMN2NPC1RAB9APOLBMAOB
SCHEMBL23084938 0.94 MAOB (0.71) SMN1; SMN2NPC1RAB9APOLBMAOB
SCHEMBL12353112 0.94 MAOB (0.71) SMN1; SMN2NPC1RAB9APOLBMAOB
SCHEMBL25500912 0.94 MAOB (0.71) SMN1; SMN2NPC1RAB9APOLBMAOB
SCHEMBL25503618 0.94 SMN1; SMN2 (0.71) SMN1; SMN2NPC1RAB9APOLBMAOB
SCHEMBL25503616 0.94 SMN1; SMN2 (0.71) SMN1; SMN2NPC1RAB9APOLBMAOB
SCHEMBL18821727 0.90 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9APOLBPARP10
SCHEMBL18821722 0.90 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9APOLBPARP10
SCHEMBL11911279 0.89 MAOB (0.64) SMN1; SMN2NPC1RAB9APOLBMAOB
SCHEMBL23084944 0.87 PARP10 (0.65) SMN1; SMN2NPC1RAB9APOLBMAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089590-A LIQUID CRYSTALLINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS MODIFIERS FOR POLYCARBONATES, POLYESTER CARBONATES AND POLYESTERS BAYER AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-5084549-A Aromatic polyesters as thermoplastic molding materials BAYER AKTIENGESELLSCHAFT (DE) 1992-01-28 US disclosed
EP-0354347-A2 Liquid crystal compounds,their manufacture as modifiers for polycarbonates,polyestercarbonates and polyesters BAYER AG (DE) 1990-02-14 EP disclosed