SCHEMBL8459324

SCHEMBL8459324

CC(C)(C)C1=C(O)C(=O)c2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 2/20 0.60
▸ TDP2 O95551 2/20 0.60
▸ ALDH1A1 P00352 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ PLA2G1B P04054 2/20 0.46
▸ ATG4B Q9Y4P1 2/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ CDC25B P30305 2/20 0.44
▸ P2RX7 Q99572 3/20 0.44
▸ MAPT P10636 5/20 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
SCHEMBL16932387 0.81 APAF1 (0.52) APAF1TDP2ALDH1A1RAB9ANPC1
SCHEMBL8405065 0.81 APAF1 (0.52) APAF1TDP2ALDH1A1RAB9ANPC1
SCHEMBL4784189 0.80 APAF1 (0.50) APAF1TDP2ALDH1A1RAB9ANPC1
SCHEMBL8147176 0.80 MAOA (0.53) APAF1TDP2ALDH1A1RAB9ANPC1
SCHEMBL14305201 0.80 MAOA (0.60) ALDH1A1MEN1KMT2ACDC25BMAPT
SCHEMBL8147770 0.80 MAOA (0.53) APAF1TDP2ALDH1A1RAB9ANPC1
SCHEMBL1102013 0.77 CDC25B (0.52) APAF1TDP2ALDH1A1RAB9ANPC1
SCHEMBL461648 0.77 APAF1 (1.00) APAF1TDP2ALDH1A1RAB9ANPC1
SCHEMBL29678361 0.77 APAF1 (1.00) APAF1TDP2ALDH1A1RAB9ANPC1
SCHEMBL9321186 0.77 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTMCL1

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-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
EP-0802730-A1 PESTICIDAL COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1997-10-29 — — EP disclosed
WO-1996021355-A1 PESTICIDAL COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-07-18 — — WO disclosed
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