SCHEMBL4809962

SCHEMBL4809962

C=C(C(N)=O)C(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
EPHX1 P07099 6/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
EPHX2 P34913 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
ACACB O00763 2/20 0.39
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
COPS5 Q92905 1/20 0.38

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
SCHEMBL4819684 0.85 ALDH1A1 (0.38) EPHX1ALDH1A1CA1CA2ACACB
SCHEMBL4816907 0.82 SLC6A4 (0.41) ALDH1A1CA1CA2ACACBCA12
SCHEMBL4576184 0.82 EPHX1 (0.44) EPHX1ALDH1A1
SCHEMBL5178360 0.70 EPHX1 (0.53) TP53TSHREPHX1ALDH1A1EPHX2
SCHEMBL30338585 0.70 TP53 (0.46) TP53TSHRALDH1A1MAPTEPHX2
SCHEMBL1472171 0.69 TDP1 (0.33)
SCHEMBL16131655 0.68 TP53 (0.51) TP53TSHREPHX1EPHX2NR1H4
SCHEMBL21221627 0.68 EPHX1 (0.50) TP53TSHREPHX1ALDH1A1EPHX2
SCHEMBL21221626 0.68 EPHX1 (0.50) TP53TSHREPHX1ALDH1A1EPHX2
SCHEMBL4814830 0.68 ALDH1A1 (0.39) ALDH1A1MAPTEPHX2NR1H4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323282-B2 Dry toner, method for producing dry toner, and method for forming an image CANON KABUSHIKI KAISHA (JP) 2008-01-29 US disclosed
US-20070231729-A1 DRY TONER, METHOD FOR PRODUCING DRY TONER, AND METHOD FOR FORMING AN IMAGE CANON KABUSHIKI KAISHA (JP) 2007-10-04 US disclosed
US-7252917-B2 Dry toner, method for producing dry toner, and method for forming an image CANON KABUSHIKI KAISHA (JP) 2007-08-07 US disclosed
US-20040191661-A1 Dry toner, method for producing dry toner, and method for forming an image CANON KABUSHIKI KAISHA (JP) 2004-09-30 US disclosed