SCHEMBL6866016

SCHEMBL6866016

CC(Oc1ccccc1)Oc1ccc(C=C(C=Cc2ccccc2)C=Cc2ccc(O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
AKR1B10 O60218 2/20 0.41
AKR1B1 P15121 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 4/20 0.40
CYP3A4 P08684 3/20 0.40
RAB9A P51151 3/20 0.40
HSPD1 P10809 2/20 0.40
HSPE1 P61604 2/20 0.40
F3 P13726 2/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL6276080 0.93 ABCG2 (0.42) CA12AKR1B10AKR1B1CA7CA9
SCHEMBL3842067 0.89 LTB4R (0.41) CA12AKR1B10AKR1B1CA7CA9
SCHEMBL7199294 0.89 LTB4R (0.41) CA12AKR1B10AKR1B1CA7CA9
SCHEMBL7172181 0.88 ABCG2 (0.46) CA12AKR1B10AKR1B1CA7CA9
SCHEMBL6839679 0.86 LTB4R (0.37) CA12AKR1B10AKR1B1CA7CA9
SCHEMBL3838221 0.84 TRPM8 (0.37) CA12AKR1B10AKR1B1CA7CA9
SCHEMBL6550386 0.83 MAPT (0.43) CA12AKR1B10AKR1B1CA7CA9
SCHEMBL7872182 0.82 MAPT (0.55) CA12AKR1B10AKR1B1CA7CA9
SCHEMBL6278088 0.82 RELA (0.48) ABCG2KMT2AMEN1MAPTRAB9A
SCHEMBL6277592 0.82 MAOB (0.43) CA12AKR1B10AKR1B1CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716573-B2 Resist Composition WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-06 US disclosed
US-20030039920-A1 Resist composition WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-27 US disclosed
US-6432608-B1 FINENESS PATTERN WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-13 US disclosed