SCHEMBL9337829

SCHEMBL9337829

CCSc1ccc(C(=O)C=Cc2cccc(CC)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P4HB P07237 2/20 0.47
▸ MAOB P27338 5/20 0.47
▸ MAOA P21397 2/20 0.47
▸ BCHE P06276 3/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ MEF2D Q14814 1/20 0.46
▸ ABCB1 P08183 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
SCHEMBL9337814 1.00 P4HB (0.47) P4HBMAOBMAOABCHEHDAC4
SCHEMBL9338688 0.90 MAOB (0.45) P4HBMAOBMAOABCHEABCB1
SCHEMBL9338674 0.90 MAOB (0.45) P4HBMAOBMAOABCHEABCB1
SCHEMBL9342269 0.88 LMNA (0.49) MAOBMAOA
SCHEMBL9342273 0.88 LMNA (0.49) MAOBMAOA
SCHEMBL9338134 0.88 HDAC4 (0.49) P4HBMAOBMAOABCHEHDAC4
SCHEMBL9338145 0.88 HDAC4 (0.49) P4HBMAOBMAOABCHEHDAC4
SCHEMBL9339741 0.87 P4HB (0.47) P4HBHDAC4MEF2D
SCHEMBL9339730 0.87 P4HB (0.47) P4HBHDAC4MEF2D
SCHEMBL9342508 0.86 THRA (0.49) P4HBHDAC4MEF2D

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
EP-0328668-B1 NONLINEAR OPTICAL MATERIAL NIPPON OILS & FATS CO LTD (JP) 1994-05-25 — — EP disclosed
US-5045239-A Chalcone derivative NIPPON OIL AND FATS CO., LTD. (JP) 1991-09-03 — — US disclosed
EP-0328668-A1 NONLINEAR OPTICAL MATERIAL NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
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