SCHEMBL8733487

SCHEMBL8733487

CC=C(c1ccccc1C)c1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
ACHE P22303 1/20 0.45
CHRM3 P20309 1/20 0.43
HPGD P15428 2/20 0.42
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38

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
SCHEMBL6546578 0.89 TRPA1 (0.41) TSHRACHECHRM3HPGDHTT
SCHEMBL7925207 0.86 NPC1 (0.42) CHRM3HPGDERCC5FEN1SMN1; SMN2
SCHEMBL6548199 0.86 NPC1 (0.42) CHRM3HPGDERCC5FEN1SMN1; SMN2
SCHEMBL6546142 0.86 CHRM3 (0.39) TSHRACHECHRM3HPGDERCC5
SCHEMBL6546582 0.85 NFE2L2 (0.46) TSHRCHRM3HTTSMN1; SMN2
SCHEMBL6546899 0.84 HPGD (0.45) TSHRHPGDERCC5FEN1HTT
SCHEMBL20764187 0.82 MAPK14 (0.40) CHRM3HTT
SCHEMBL22359706 0.82 CYP3A4 (0.45) TSHRCHRM3HPGDMAOAMAOB
SCHEMBL516741 0.80 MAOA (0.41) TSHRACHECHRM3HPGDERCC5
SCHEMBL18608222 0.77 HPGD (0.45) TSHRACHEHPGDERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858339-A1 A METHOD OF TREATING FILARIAE NOVO NORDISK A/S (DK) 1998-08-19 EP disclosed
WO-1997017073-A1 A METHOD OF TREATING FILARIAE NOVO NORDISK A/S (DK) 1997-05-15 WO disclosed