SCHEMBL6039103

SCHEMBL6039103

O=c1cc(-c2ccccc2)oc2c1CCC=C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 5/20 0.47
CYP3A4 P08684 5/20 0.47
TP53 P04637 5/20 0.47
HPGD P15428 5/20 0.47
AR P10275 4/20 0.47
CYP19A1 P11511 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TNKS O95271 3/20 0.47
ABCB1 P08183 3/20 0.47
NPC1 O15118 2/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
RAB9A P51151 2/20 0.47
CA9 Q16790 2/20 0.47
ABCG2 Q9UNQ0 2/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
PARP1 P09874 1/20 0.47

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
SCHEMBL5724043 0.76 CYP1A1 (0.48) CYP1B1CYP3A4TP53HPGDAR
SCHEMBL10824405 0.71 PLA2G2A (0.50) CYP1B1CYP3A4TP53HPGDAR
SCHEMBL19474584 0.68 ELANE (0.38) CYP3A4TP53HPGDSMN1; SMN2NPC1
SCHEMBL4454882 0.67 MAOA (0.50) CYP1B1CYP3A4TP53HPGDAR
Flavone SCHEMBL31316377 0.65 TNKS (1.00) CYP1B1CYP3A4TP53HPGDAR
Flavone SCHEMBL15676601 0.65 TNKS (1.00) CYP1B1CYP3A4TP53HPGDAR
Flavone SCHEMBL30542161 0.65 TNKS (1.00) CYP1B1CYP3A4TP53HPGDAR
Flavone SCHEMBL28248986 0.65 TNKS (1.00) CYP1B1CYP3A4TP53HPGDAR
Flavone SCHEMBL18879 0.65 TNKS (1.00) CYP1B1CYP3A4TP53HPGDAR
SCHEMBL7915034 0.65 MAPT (0.48) CYP1B1CYP3A4TP53HPGDAR

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
US-7049278-B2 Composition and method for bleaching a substrate UNILEVER HOME AND PERSONAL CARE USA DIVISION OF CONOPCO, INC. (US) 2006-05-23 US disclosed
US-20040038844-A1 For laundry fabrics UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-02-26 US disclosed
US-6638901-B2 With atmospheric oxygen and a peroxyl species, using a transition metal-ligand complex as catalyst in unit dose that allows dual bleaching, for example of both oily tomato and tea type stains UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-10-28 US disclosed
EP-1283861-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2003-02-19 EP disclosed
US-20020013247-A1 Composition and method for bleaching a substrate UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-01-31 US disclosed
WO-2001064827-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2001-09-07 WO disclosed