SCHEMBL9842152

SCHEMBL9842152

Cc1cccc(COCc2ccc(COCc3cccc(C)c3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.64
▸ MAOB P27338 5/20 0.53
▸ TSHR P16473 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ TAAR1 Q96RJ0 1/20 0.50
▸ MAOA P21397 1/20 0.47
▸ ACHE P22303 2/20 0.46
▸ EGLN1 Q9GZT9 1/20 0.46
▸ AR P10275 1/20 0.45
▸ FFAR4 Q5NUL3 1/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP12 P39900 1/20 0.43

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
SCHEMBL12266469 0.96 IDO1 (0.60) IDO1MAOBTSHRKCNH2TAAR1
SCHEMBL6667381 0.96 IDO1 (0.69) IDO1MAOBTSHRKCNH2TAAR1
SCHEMBL9283193 0.94 TSHR (0.62) IDO1MAOBTSHRKCNH2TAAR1
SCHEMBL20723949 0.91 IDO1 (0.55) IDO1MAOBTSHRKCNH2TAAR1
Hydroquinone SCHEMBL10866249 0.88 IDO1 (0.60) IDO1MAOBTSHRTAAR1MAOA
SCHEMBL22537583 0.88 IDO1 (0.51) IDO1MAOBTSHRKCNH2TAAR1
M-Xylene SCHEMBL19206956 0.87 TSHR (0.65) IDO1MAOBTSHRKCNH2TAAR1
SCHEMBL8750524 0.85 IDO1 (0.62) IDO1MAOBTAAR1MAOAACHE
SCHEMBL3160721 0.83 IDO1 (0.60) IDO1MAOBTAAR1MAOAACHE
SCHEMBL11019394 0.83 IDO1 (0.60) IDO1MAOBTAAR1MAOAACHE

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
EP-0414243-A2 Heat-sensitive recorder HONSHU PAPER CO., LTD. (JP) 1991-02-27 — — EP disclosed
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