SCHEMBL27504681

SCHEMBL27504681

c1ccc(-c2cc3cc[nH]c3cc2-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.60
▸ GPR84 Q9NQS5 1/20 0.47
▸ AHR P35869 7/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ ITGB2 P05107 1/20 0.46
▸ ICAM1 P05362 1/20 0.46
▸ ITGAL P20701 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ ADK P55263 1/20 0.46
▸ TLR8 Q9NR97 1/20 0.46
▸ TLR7 Q9NYK1 1/20 0.46
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ MAP3K11 Q16584 1/20 0.42
▸ GHSR Q92847 1/20 0.42
▸ AXL P30530 1/20 0.42
▸ CDK8 P49336 1/20 0.42

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
SCHEMBL14823128 0.85 NPC1 (0.53) NPC1GPR84AHRTRPA1CA1
SCHEMBL24312767 0.85 NPC1 (0.53) NPC1GPR84AHRTRPA1CA1
SCHEMBL15811951 0.85 GPR84 (0.60) NPC1GPR84AHRTRPA1CA1
SCHEMBL9001654 0.81 NPC1 (0.49) NPC1GPR84AHRTRPA1CA1
SCHEMBL8957490 0.81 NPC1 (0.49) NPC1GPR84AHRTRPA1CA1
SCHEMBL2530865 0.79 GPR84 (0.67) NPC1GPR84AHRTRPA1CA1
SCHEMBL22178786 0.79 NPC1 (0.76) NPC1AHRTRPA1CA1CA2
SCHEMBL1440181 0.78 AHR (0.61) NPC1GPR84AHRTRPA1CA1
SCHEMBL30071614 0.78 AHR (0.61) NPC1GPR84AHRTRPA1CA1
SCHEMBL28332329 0.76 KMT2A (0.61) NPC1GPR84TLR8TLR7GHSR

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1264498-C Primary intermediates for oxidative dyeing of hair PROCTER & GAMBLE (US) 2006-07-19 — — CN disclosed
CN-1239467-C Primary intermediates for oxidative dyeing of hair P & G CLAIROL INC (US) 2006-02-01 — — CN disclosed
CN-1229100-C Primary intermediates for oxidative dyeing of hair P & G CLAIROL INC (US) 2005-11-30 — — CN disclosed
CN-1229102-C Novel couplers for oxidative hair dyeing P & G CLAIROL INC (US) 2005-11-30 — — CN disclosed
CN-1224374-C Novel couplers for oxidative hair dyeing P & G CLAIROL INC (US) 2005-10-26 — — CN disclosed
CN-1219501-C Primary intermediates for oxidative dyeing of hair P & G CLAIROL INCORP (US) 2005-09-21 — — CN disclosed
CN-1213722-C Couplers for oxidative hair dyeing P & G CLAIROL INC (US) 2005-08-10 — — CN disclosed
CN-1198574-C Novel couplers for oxidative hair dyeing P & G CLAIROL INC (US) 2005-04-27 — — CN disclosed
CN-1607935-A Primary intermediates for oxidative dyeing of hair PROCTER & GAMBLE (US) 2005-04-20 — — CN disclosed
CN-1503657-A Novel couplers for oxidative hair dyeing P&G 2004-06-09 — — CN disclosed
CN-1486172-A Primary intermediates for oxidative dyeing of hair P&G 2004-03-31 — — CN disclosed
CN-1486170-A Novel couplers for use in oxidative hair dyeing P&G 2004-03-31 — — CN disclosed
CN-1486297-A Primary intermediates for oxidative dyeing of hair P&G 2004-03-31 — — CN disclosed
CN-1486171-A Couplers for oxidative hair dyeing P&G克莱罗尔公司 2004-03-31 — — CN disclosed
CN-1477948-A Novel couplers for oxidative hair dyeing P&G克莱罗尔公司 2004-02-25 — — CN disclosed
CN-1477947-A Primary intermediates for oxidative dyeing of hair P&G 2004-02-25 — — CN disclosed
CN-1474681-A Novel couplers for oxidative hair dyeing P&G克莱罗尔公司 2004-02-11 — — CN disclosed
CN-1474680-A Novel couplers for oxidative hair dyeing P&G克莱罗尔公司 2004-02-11 — — CN disclosed
CN-1474679-A Novel couplers for oxidative hair dyeing P&G 2004-02-11 — — CN disclosed
CN-1449276-A Primary intermediates for oxidative dyeing of hair P & G CLAIROL INC (US) 2003-10-15 — — CN disclosed
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