SCHEMBL10697858

SCHEMBL10697858

O=C(OCc1ccccc1)C(c1ccc(O)cc1)c1ccc(O)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ALDH1A1 P00352 3/20 0.43
EDNRA P25101 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
HSD17B2 P37059 2/20 0.41
KLK1 P06870 1/20 0.41
AKR1B10 O60218 2/20 0.41
AKR1B1 P15121 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
TTR P02766 1/20 0.40
ESR2 Q92731 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
SCHEMBL10688729 0.96 ALDH1A1 (0.44) LMNAALDH1A1EDNRATDP1CA2
SCHEMBL10687033 0.96 ALDH1A1 (0.46) LMNAALDH1A1EDNRATDP1CA2
SCHEMBL1395609 0.86 LMNA (0.59) LMNAALDH1A1TDP1KLK1AKR1B10
SCHEMBL10689977 0.82 ALDH1A1 (0.49) LMNAALDH1A1EDNRATDP1AKR1B10
SCHEMBL11597910 0.80 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL8926687 0.78 MGLL (0.50) LMNAKLK1AKR1B10AKR1B1CA12
SCHEMBL27965721 0.78 KMT2A (0.47) LMNAALDH1A1EDNRAESR2L3MBTL1
SCHEMBL10525510 0.78 ALDH1A1 (0.57) LMNAALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL6704345 0.73 KDM4E (0.39) LMNAALDH1A1TDP1CA2CA1
SCHEMBL10730740 0.73 LMNA (0.64) LMNAALDH1A1TDP1ESR2ADCYAP1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4792544-A BENZYL HYDROXYPHENYL-PHENYLACETATE DEVELOPERS; HIGH SPEED PRINTING NIPPON GOHSEI KAGAKU KOGYO KABOSHIKI KAISHA (JP) 1988-12-20 US disclosed