SCHEMBL6930468

SCHEMBL6930468

Nc1cc(N)cc(C(=O)O)c1.O=C1OC(=O)c2cc(C(c3ccc4c(c3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.36
CA7 P43166 5/20 0.36
CA1 P00915 5/20 0.36
CA4 P22748 2/20 0.36
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
DHODH Q02127 1/20 0.34
MAP4K4 O95819 1/20 0.33
PTGS1 P23219 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A2 P23975 1/20 0.32
P2RY14 Q15391 1/20 0.32
PTPN1 P18031 1/20 0.32
SRD5A2 P31213 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL25955785 0.87 CA12 (0.42) CA12CA7CA1CA4CA2
Benzoic Acid SCHEMBL28332838 0.87 CA12 (0.42) CA12CA7CA1CA4CA2
SCHEMBL25955784 0.84 SRD5A2 (0.43) CA12CA7CA1CA4SRD5A2
SCHEMBL49774 0.82 ALOX15 (0.43) CA12CA7CA1CA4ALDH1A1
SCHEMBL9505714 0.80 TYMS (0.42) CA12CA7CA1CA4CA2
SCHEMBL25955781 0.78 CA12 (0.44) CA12CA7CA1CA4CA2
SCHEMBL25955780 0.77 CA12 (0.41) CA12CA7CA1CA4CA2
SCHEMBL8316340 0.77 KDM4E (0.46) DHODHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL24788969 0.76 TYMS (0.39) CA12CA7CA1CA4CA2
SCHEMBL14412566 0.76 CA12 (0.38) CA12CA7CA1CA4CA2

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-6749895-B2 ALIGNMENT PROPERTY AND AN EXCELLENT THERMAL STABILITY IN PHOTO-ALIGNMENT; FOR PRODUCING LIQUID CRYSTAL DISPLAY(LCD) KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-06-15 US claimed
US-20020198358-A1 Polymer for preparing liquid crystal alignment layer KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2002-12-26 US claimed
US-6749895-B2 ALIGNMENT PROPERTY AND AN EXCELLENT THERMAL STABILITY IN PHOTO-ALIGNMENT; FOR PRODUCING LIQUID CRYSTAL DISPLAY(LCD) KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-06-15 US disclosed
US-20020198358-A1 Polymer for preparing liquid crystal alignment layer KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2002-12-26 US disclosed