SCHEMBL8405065

SCHEMBL8405065

CCC(C)(C)C1=C(O)C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.52
▸ TDP2 O95551 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51
▸ P2RX7 Q99572 3/20 0.41
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ DHODH Q02127 3/20 0.39
▸ MAPT P10636 5/20 0.39
▸ MCL1 Q07820 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
SCHEMBL28333502 0.83 RAB9A (0.56) APAF1TDP2SMN1; SMN2NPC1RAB9A
SCHEMBL8459324 0.81 APAF1 (0.60) APAF1TDP2SMN1; SMN2NPC1RAB9A
SCHEMBL8459717 0.76 LMNA (0.45) SMN1; SMN2NPC1RAB9ALMNAMAPK1
SCHEMBL16932387 0.75 APAF1 (0.52) APAF1TDP2SMN1; SMN2NPC1RAB9A
SCHEMBL4784189 0.74 APAF1 (0.50) APAF1TDP2SMN1; SMN2NPC1RAB9A
Anthraquinone SCHEMBL28722242 0.72 RAB9A (0.71) APAF1TDP2SMN1; SMN2NPC1RAB9A
SCHEMBL29399456 0.71 LMNA (0.47) APAF1TDP2SMN1; SMN2NPC1RAB9A
SCHEMBL395873 0.71 LMNA (0.47) APAF1TDP2SMN1; SMN2NPC1RAB9A
SCHEMBL29678361 0.71 APAF1 (1.00) APAF1TDP2SMN1; SMN2NPC1RAB9A
SCHEMBL461648 0.71 APAF1 (1.00) APAF1TDP2SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11043401-A — — None — — JP 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
JP-H1143401-A NOXIOUS ORGANISM EXTERMINATING AGENT NIPPON KAYAKU CO LTD 1999-02-16 — — JP 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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