SCHEMBL6310070

SCHEMBL6310070

C=Cc1cccc(C)c1C.C=Cc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.42
▸ RAB9A P51151 6/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ATM Q13315 1/20 0.42
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ NR4A1 P22736 1/20 0.35
▸ IKBKB O14920 2/20 0.35
▸ RAF1 P04049 2/20 0.35
▸ RPS6KB1 P23443 2/20 0.35
▸ AKT1 P31749 2/20 0.35
▸ AKT2 P31751 2/20 0.35
▸ KDR P35968 2/20 0.35

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
SCHEMBL8824963 0.88 NPC1 (0.47) NPC1RAB9AMEN1KMT2AATM
SCHEMBL753718 0.82 NPC1 (0.56) NPC1RAB9AMEN1KMT2AATM
SCHEMBL27484857 0.80 ALDH1A1 (0.43) ATMPTGS1PTGS2KDM4EMAPT
SCHEMBL29392787 0.80 TRPA1 (0.42) ATMMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL17220278 0.80 TRPA1 (0.42) ATMMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL28496 0.80 TRPA1 (0.42) ATMMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL27560479 0.80 NPC1 (0.48) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9677535 0.79 ALDH1A1 (0.46) RAB9AMEN1KMT2AATMKDM4E
Methyl Alcohol SCHEMBL28009509 0.78 RAB9A (0.61) NPC1RAB9AMEN1KMT2AATM
Ethylene SCHEMBL2135101 0.78 TRPA1 (0.41) ATMMAPTGAASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108289801-A Oral care gel 高露洁-棕榄公司 2018-07-17 — — CN disclosed
CN-101437488-B Oral care compositions with silicone composites COLGATE-PALMOLIVE CO. (US) 2015-11-25 — — CN disclosed
CN-101163523-B Tooth whitening compositions containing cross-linked polymer-peroxide COLGATE PALMOLIVE CO 2013-06-19 — — CN disclosed
EP-1484355-B1 High solids process for preparing polymeric nanoparticles ROHM & HAAS (US) 2012-12-12 — — EP disclosed
CN-101437488-A Oral care compositions with silicone composites COLGATE PALMOLIVE CO (US) 2009-05-20 — — CN disclosed
CN-101163523-A Tooth whitening compositions containing cross-linked polymer-peroxide COLGATE PALMOLIVE CO (US) 2008-04-16 — — CN disclosed
US-6858299-B2 High solids process for preparing polymeric nanoparticles ROHM AND HAAS COMPANY (US) 2005-02-22 — — US disclosed
EP-1484355-A1 High solids process for preparing polymeric nanoparticles ROHM AND HAAS COMPANY (US) 2004-12-08 — — EP disclosed
US-20040236050-A1 High solids process for preparing polymeric nanoparticles ROHN AND HAAS COMPANY 2004-11-25 — — US disclosed
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