SCHEMBL7649382

SCHEMBL7649382

CC(=O)c1cc(CC2CC2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.44
▸ MAOA P21397 3/20 0.44
▸ KLKB1 P03952 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ DNMT1 P26358 1/20 0.43
▸ DNMT3B Q9UBC3 1/20 0.43
▸ DNMT3L Q9UJW3 1/20 0.43
▸ DNMT3A Q9Y6K1 1/20 0.43
▸ LCK P06239 1/20 0.40
▸ HNF4A P41235 1/20 0.39
▸ KAT8 Q9H7Z6 2/20 0.39

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
SCHEMBL13302505 0.78 KLKB1 (0.68) MAOBMAOAKLKB1CTSBMMP9
SCHEMBL21035765 0.78 LCK (0.61) MAOBMAOAKLKB1CTSBMMP9
SCHEMBL925372 0.77 TRPA1 (0.57) MAOBMAOAKLKB1CTSBMMP9
SCHEMBL8568065 0.77 MAOA (0.50) MAOBMAOAKLKB1CTSBMMP9
SCHEMBL11337098 0.75 MAOA (0.53) MAOBMAOAKLKB1CTSBMMP9
SCHEMBL21632307 0.75 PLG (0.49) MAOBMAOAKLKB1CTSBMMP9
SCHEMBL312283 0.75 MAOA (0.49) MAOBMAOAKLKB1CTSBMMP9
SCHEMBL8569507 0.75 MAOA (0.46) MAOBMAOAKLKB1CTSBMMP9
SCHEMBL8565952 0.75 MAOA (0.46) MAOBMAOAKLKB1CTSBMMP9
SCHEMBL31536497 0.75 PPARA (0.50) MAOBKLKB1CTSBMMP9DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479671-B1 Process for producing optically active chromene derivative SHIONOGI & CO., LTD. (JP) 2002-11-12 — — US disclosed
US-6218427-B1 AS ENDOTHELIN RECEPTOR ANTAGONIST SHIONOGI & CO., LTD. (JP) 2001-04-17 — — US disclosed
EP-1057824-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2000-12-06 — — EP disclosed
EP-0924207-A1 CHROMENE-3-CARBOXYLATE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-06-23 — — EP disclosed
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