SCHEMBL16040590

SCHEMBL16040590

CC(=O)Cc1cccc(Cc2c(O)c3ccccc3oc2=O)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 7/20 0.67
VKORC1 Q9BQB6 8/20 0.67
MEN1 O00255 1/20 0.62
ABCB11 O95342 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
CYP2C19 P33261 1/20 0.62
KMT2A Q03164 1/20 0.62
PDE4D Q08499 1/20 0.62
PCSK7 Q16549 1/20 0.62
GPR35 Q9HC97 1/20 0.62
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL7348527 0.87 VKORC1 (0.63) NQO1VKORC1MEN1ABCB11ALDH1A1
SCHEMBL4958234 0.81 NQO1 (0.73) NQO1VKORC1MEN1ABCB11ALDH1A1
SCHEMBL1648186 0.81 NQO1 (1.00) NQO1VKORC1MEN1ABCB11ALDH1A1
SCHEMBL187007 0.81 NQO1 (0.67) NQO1VKORC1MEN1ABCB11ALDH1A1
SCHEMBL4959844 0.80 VKORC1 (0.70) NQO1VKORC1MEN1ABCB11ALDH1A1
SCHEMBL13498415 0.79 NQO1 (0.72) NQO1VKORC1MEN1ABCB11ALDH1A1
SCHEMBL4960728 0.78 VKORC1 (0.64) NQO1VKORC1MEN1ABCB11ALDH1A1
Dicumarol SCHEMBL33891 0.78 NQO1 (1.00) NQO1VKORC1MEN1ABCB11ALDH1A1
Dicumarol SCHEMBL29703314 0.78 NQO1 (1.00) NQO1VKORC1MEN1ABCB11ALDH1A1
Dicumarol SCHEMBL7454901 0.78 NQO1 (1.00) NQO1VKORC1MEN1ABCB11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10197581-B2 Vitamin D assays ENZO LIFE SCIENCES, INC. (US) 2019-02-05 US disclosed
WO-2017039574-A1 VITAMIN D ASSAYS ENZO LIFE SCIENCES, INC. (US) 2017-03-09 WO disclosed
US-20160370387-A1 VITAMIN D ASSAYS ENZO LIFE SCIENCES, INC. (US) 2016-12-22 US disclosed
US-9476873-B2 Vitamin D assays ENZO LIFE SCIENCES, INC. (US) 2016-10-25 US disclosed
US-20160018390-A1 VITAMIN D ASSAYS ENZO LIFE SCIENCE, INC. (US) 2016-01-21 US disclosed
WO-2014158864-A1 VITAMIN D ASSAYS ENZO LIFE SCIENCES, INC. (US) 2014-10-02 WO disclosed
US-20140273021-A1 VITAMIN D ASSAYS ENZO LIFE SCIENCE, INC. 2014-09-18 US disclosed