SCHEMBL8147176

SCHEMBL8147176

Cc1ccc2c(c1)C(=O)C(C(C)(C)C)=C(O)C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.53
▸ MAOB P27338 2/20 0.53
▸ ELANE P08246 2/20 0.52
▸ LCK P06239 1/20 0.47
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ BCL2 P10415 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ USP8 P40818 1/20 0.40
▸ USP7 Q93009 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40

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
SCHEMBL8147770 1.00 MAOA (0.53) MAOAMAOBELANELCKCA1
SCHEMBL9353826 0.83 MAOA (0.68) MAOAMAOBELANELCKCA1
SCHEMBL8459324 0.80 APAF1 (0.60) MAOAELANEBCL2MCL1ALDH1A1
SCHEMBL23271984 0.78 MAOA (0.73) MAOAMAOBELANELCKCA1
SCHEMBL30003553 0.78 MAOA (0.73) MAOAMAOBELANELCKCA1
SCHEMBL3691403 0.75 PTPN1 (0.47) MAOAMAOBELANELCKCA1
SCHEMBL3699283 0.75 PTPN1 (0.47) MAOAMAOBELANELCKCA1
SCHEMBL182959 0.74 ELANE (0.86) MAOAMAOBELANELCKCA1
SCHEMBL583153 0.74 ELANE (0.86) MAOAMAOBELANELCKCA1
SCHEMBL10424226 0.73 NPC1 (0.72) MAOAMAOBELANELCKCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6162799-A Pesticidal compounds BTG INTERNATIONAL LIMITED (GB) 2000-12-19 — — US disclosed
US-5962002-A 1,1,4,4-SUBSTITUTED DIHYDRONAPHTHALENE COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1999-10-05 — — US disclosed
EP-0802730-B1 PESTICIDAL COMPOUNDS BTG INT LTD (GB) 1999-06-23 — — EP disclosed
WO-1997002271-A1 PESTICIDAL COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1997-01-23 — — WO disclosed
WO-1996021355-A1 PESTICIDAL COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-07-18 — — WO disclosed
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