SCHEMBL9750441

SCHEMBL9750441

Cc1ccc(COC(=O)c2ccc(O)c(O)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.66
CA1 P00915 3/20 0.66
CA2 P00918 3/20 0.66
CA7 P43166 3/20 0.66
CA9 Q16790 3/20 0.66
CA14 Q9ULX7 3/20 0.66
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
XDH P47989 1/20 0.53
PTPN1 P18031 1/20 0.53
MAPT P10636 3/20 0.51
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
HSD17B2 P37059 1/20 0.48

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
SCHEMBL9750045 0.86 TYR (0.59) MEN1KMT2AMAPTESR1L3MBTL1
SCHEMBL6653763 0.85 KMT2A (0.71) CA12CA1CA2CA7CA9
SCHEMBL13932521 0.85 KMT2A (0.71) CA12CA1CA2CA7CA9
SCHEMBL9749965 0.84 KMT2A (0.57) CA12CA1CA2CA7CA9
SCHEMBL537056 0.84 LMNA (0.70) CA12CA1CA2CA7CA9
SCHEMBL830366 0.83 KMT2A (0.82) CA12CA1CA2CA7CA9
SCHEMBL6653627 0.82 L3MBTL1 (0.61) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL10716827 0.81 MEN1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL39791 0.80 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL13098589 0.80 KMT2A (0.58) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084593-A Cyanine, aniline dyes for heat sensitive recording elements RICOH COMPANY, LTD. (JP) 1992-01-28 US disclosed
US-5008238-A Thermosensitive material with phenolic developer RICOH COMPANY, LTD. (JP) 1991-04-16 US disclosed