SCHEMBL5849544

SCHEMBL5849544

COc1c(CCO)cc(O)c(C)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.33
IMPDH2 P12268 2/20 0.32
IMPDH1 P20839 1/20 0.32
ALOX5 P09917 4/20 0.32
CYP2D6 P10635 1/20 0.32
HMGCR P04035 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31

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
SCHEMBL5714292 0.83 CYP3A4 (0.39) CYP3A4TDP1IMPDH2ALOX5HMGCR
SCHEMBL9398192 0.82 CYP1A2 (0.38) CYP3A4TDP1CYP1A2CYP2D6MAPT
SCHEMBL9197174 0.78 GABRA1 (0.37) CYP3A4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10387383 0.76 ALDH1A1 (0.42) TDP1MAPT
Hydrochloric Acid SCHEMBL9192818 0.73 MAPT (0.46) CYP3A4TDP1IMPDH2TUBB4ATUBB
SCHEMBL5190973 0.69 TYR (0.41) ALOX5MAPT
SCHEMBL11203674 0.69 TSHR (0.38) CYP3A4ALOX5MAPT
SCHEMBL17998046 0.69 CYP3A4 (0.39) CYP3A4TDP1TUBB4ATUBBTUBA3C
SCHEMBL6924953 0.68 CYP3A4 (0.38) CYP3A4TDP1TUBB4ATUBBTUBA3C
SCHEMBL9848855 0.67 KDM4E (0.36) CYP3A4TDP1IMPDH2HMGCREP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7070628-B2 Composition for the dyeing of human hair KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2006-07-04 US claimed
US-7070627-B2 Composition for the dyeing of human hair KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2006-07-04 US claimed
US-7056352-B2 Composition for the dyeing of human hair KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2006-06-06 US claimed
EP-1438948-B1 Composition for the dyeing of human hair KPSS KAO GMBH (DE) 2005-10-19 EP claimed
EP-1374841-B1 Composition for dyeing of human hair KPSS KAO GMBH (DE) 2005-10-19 EP claimed
EP-1374840-B1 Composition for the dyeing of human hair KPSS KAO GMBH (DE) 2005-10-19 EP claimed
EP-1380285-B1 Composition for the dyeing of human hair KPSS KAO GMBH (DE) 2005-10-19 EP claimed
EP-1378229-B1 Composition for the dyeing of human hair KPSS KAO GMBH (DE) 2005-10-12 EP claimed
US-6852133-B2 Composition for the dyeing of human hair KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2005-02-08 US claimed
US-20040139564-A1 Composition for the dyeing of human hair KPSS - KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2004-07-22 US claimed
EP-1374841-A2 Composition for dyeing of human hair KPSS-Kao Professional Salon Services GmbH (DE) 2004-01-02 EP claimed
US-20030233715-A1 Composition for the dyeing of human hair KPSS - KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2003-12-25 US claimed
US-20030233716-A1 Composition for the dyeing of human hair KPSS - KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2003-12-25 US claimed
EP-1370221-A2 METHOD AND COMPOSITION FOR THE GRADUAL PERMANENT COLORING OF HAIR UNILEVER PLC (GB) 2003-12-17 EP claimed
WO-2003075871-A1 METHOD OF GRADUAL PERMANENT COLORING OF HAIR UNILEVER PLC (GB) 2003-09-18 WO claimed
WO-2003075870-A1 GRADUAL PERMANENT COLOURING OF HAIR USING DYE INTERMEDIATES DISSOLVED IN ALKALINE AQUEOUS MEDIUM COMPRISING A GELLING AGENT UNILEVER PLC (GB) 2003-09-18 WO claimed
WO-2003074016-A1 METHOD OF GRADUAL PERMANENT COLORING OF HAIR UNILEVER PLC (GB) 2003-09-12 WO claimed
WO-2003055458-A1 GRADUAL PERMANENT COLORING OF HAIR USING DYE INTERMEDIATES IN A SHAMPOO BASE UNILEVER PLC (GB) 2003-07-10 WO claimed
WO-2003055457-A1 GRADUAL PERMANENT COLORING OF HAIR USING DYE INTERMEDIATES IN A SHAMPOO BASE UNILEVER PLC (GB) 2003-07-10 WO claimed
WO-2002074266-A2 METHOD AND COMPOSITION FOR THE GRADUAL PERMANENT COLORING OF HAIR UNILEVER PLC (GB) 2002-09-26 WO claimed