SCHEMBL28670587

SCHEMBL28670587

C=C(Cc1ccc(OC)cc1)c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
ACHE P22303 1/20 0.52
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EGFR P00533 1/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
PKM P14618 1/20 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
SCHEMBL6546763 0.87 NPC1 (0.48) L3MBTL1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL28543477 0.84 PLAU (0.55) MAPTL3MBTL1NPC1RAB9ATDP1
SCHEMBL28366589 0.84 LTA4H (0.53) MAPTL3MBTL1NPC1RAB9ATDP1
SCHEMBL6546159 0.80 ALDH1A1 (0.44) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6547240 0.80 ALDH1A1 (0.44) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3097303 0.79 NPC1 (0.65) MAPTL3MBTL1NPC1RAB9ATDP1
SCHEMBL3099733 0.79 NPC1 (0.65) MAPTL3MBTL1NPC1RAB9ATDP1
SCHEMBL25107860 0.79 NPC1 (0.42) L3MBTL1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL20716178 0.79 KMT2A (0.50) L3MBTL1NPC1RAB9AACHESMN1; SMN2
SCHEMBL6546799 0.78 L3MBTL1 (0.47) L3MBTL1NPC1RAB9ATDP1SMN1; SMN2

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
CN-113773202-A Polysubstituted phenanthrene compound, preparation method and application thereof 北京理工大学 2021-12-10 CN disclosed