SCHEMBL19626883

SCHEMBL19626883

O=C(Oc1ccc2cc3cc(OC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3cc2c1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ESR1 P03372 5/20 0.48
ESR2 Q92731 3/20 0.48
KMT2A Q03164 9/20 0.47
MEN1 O00255 7/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
MMP1 P03956 2/20 0.40
MMP12 P39900 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
SCHEMBL19626924 1.00 CA1 (0.50) CA1CA2ESR1ESR2KMT2A
SCHEMBL19626823 0.96 KMT2A (0.51) CA1CA2ESR1ESR2KMT2A
SCHEMBL19626821 0.96 CA1 (0.52) CA1CA2ESR1ESR2KMT2A
SCHEMBL19626972 0.89 CA1 (0.48) CA1CA2ESR1ESR2KMT2A
SCHEMBL19626989 0.87 CA1 (0.49) CA1CA2ESR1ESR2KMT2A
SCHEMBL19626884 0.82 ESR1 (0.49) CA1CA2ESR1ESR2KMT2A
SCHEMBL19626877 0.81 ESR1 (0.55) ESR1ESR2KMT2AMEN1MAPT
SCHEMBL19626894 0.81 ESR1 (0.55) ESR1ESR2KMT2AMEN1MAPT
SCHEMBL19626958 0.80 CA1 (0.49) CA1CA2ESR1ESR2KMT2A
SCHEMBL19626897 0.79 KMT2A (0.53) ESR1ESR2KMT2AMEN1MAPT

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-10310303-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device using the same NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2019-06-04 US disclosed
US-20170336660-A1 Liquid Crystal Compound, Liquid Crystal Composition and Liquid Crystal Display Device Using the Same NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2017-11-23 US disclosed
US-20170336660-A1 Liquid Crystal Compound, Liquid Crystal Composition and Liquid Crystal Display Device Using the Same NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2017-11-23 US disclosed