SCHEMBL5464508

SCHEMBL5464508

Clc1ccc2cc3cc4cc5cc6ccccc6cc5cc4cc3cc2c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.84
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HBB P68871 1/20 0.50
HIF1A Q16665 1/20 0.50
NR4A2 P43354 2/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL1359615 1.00 CYP2A6 (0.84) CYP2A6ALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL5052178 1.00 CYP2A6 (0.84) CYP2A6ALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL30413044 1.00 CYP2A6 (0.84) CYP2A6ALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL6036944 1.00 CYP2A6 (0.84) CYP2A6ALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL29825910 1.00 CYP2A6 (0.84) CYP2A6ALDH1A1TDP1CYP3A4HSD17B10
Benzene SCHEMBL28779473 0.97 CYP2A6 (0.80) CYP2A6ALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL8873844 0.92 CYP2A6 (1.00) CYP2A6ALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL29843547 0.92 CYP2A6 (1.00) CYP2A6ALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL30071035 0.92 CYP2A6 (1.00) CYP2A6ALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL152521 0.92 CYP2A6 (1.00) CYP2A6ALDH1A1TDP1CYP3A4HSD17B10

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
US-20070286821-A1 COMPOSITION WITH ACTIVATED CARBON IN ORAL TREATMENT VAPOR SHIELD, INC. 2007-12-13 US claimed
US-20140161744-A1 COMPOSITION WITH ACTIVATED CARBON IN ORAL TREATMENT Vapor Shield Inc. (US) 2014-06-12 US disclosed
US-8668902-B2 Composition with activated carbon in oral treatment VAPOR SHIELD, INC. (US) 2014-03-11 US disclosed
US-20070286821-A1 COMPOSITION WITH ACTIVATED CARBON IN ORAL TREATMENT VAPOR SHIELD, INC. 2007-12-13 US disclosed
EP-1049448-B1 COMPOSITIONS FOR REDUCING THE QUANTITY BUT NOT THE CONCENTRATION OF ACTIVE INGREDIENTS DELIVERED BY A DENTIFRICE ULTRADENT PRODUCTS INC (US) 2005-01-26 EP disclosed
EP-1049448-A4 COMPOSITIONS AND METHODS FOR REDUCING THE QUANTITY BUT NOT THE CONCENTRATION OF ACTIVE INGREDIENTS DELIVERED BY A DENTIFRICE ULTRADENT PRODUCTS INC (US) 2002-01-30 EP disclosed
EP-1049448-A1 COMPOSITIONS AND METHODS FOR REDUCING THE QUANTITY BUT NOT THE CONCENTRATION OF ACTIVE INGREDIENTS DELIVERED BY A DENTIFRICE ULTRADENT PRODUCTS, INC. (US) 2000-11-08 EP disclosed
US-6010683-A FOAMING; CONTROLLING CONCENTRATION ULTRADENT PRODUCTS, INC. (US) 2000-01-04 US disclosed
WO-1999022704-A1 COMPOSITIONS AND METHODS FOR REDUCING THE QUANTITY BUT NOT THE CONCENTRATION OF ACTIVE INGREDIENTS DELIVERED BY A DENTIFRICE ULTRADENT PRODUCTS, INC. (US) 1999-05-14 WO disclosed