SCHEMBL13667485

SCHEMBL13667485

COc1ccc(COc2cc(C)cc(Cl)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.54
APP P05067 7/20 0.51
MAOB P27338 2/20 0.51
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.44
FFAR1 O14842 1/20 0.44
MEN1 O00255 1/20 0.44
CASP3 P42574 1/20 0.44
KMT2A Q03164 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL7240044 0.83 MAOB (0.53) APPMAOBNPC1RAB9APOLB
SCHEMBL11931427 0.82 GRM5 (0.56) GRM5APPMAOBNPC1RAB9A
SCHEMBL12221468 0.81 APP (0.49) APPMAOBNPC1RAB9APOLB
SCHEMBL9618281 0.79 APP (0.67) APPMAOBNPC1RAB9APOLB
SCHEMBL12221466 0.79 NPC1 (0.51) GRM5APPMAOBNPC1RAB9A
SCHEMBL22119929 0.79 APP (0.50) APPMAOBNPC1RAB9APOLB
SCHEMBL12221463 0.79 NPC1 (0.66) APPMAOBNPC1RAB9APOLB
SCHEMBL12221469 0.79 APP (0.48) APPMAOBNPC1RAB9APOLB
SCHEMBL29371430 0.79 APP (0.50) APPMAOBNPC1RAB9APOLB
SCHEMBL18475585 0.77 APP (0.69) APPMAOBNPC1RAB9APOLB

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
WO-2009132087-A1 THIOPHENE DERIVATIVES USEFUL AS OCULAR HYPOTENSIVE AGENTS ALLERGAN, INC. (US) 2009-10-29 WO disclosed