SCHEMBL9750011

SCHEMBL9750011

Cc1ccccc1COC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.62
CA1 P00915 3/20 0.62
CA2 P00918 3/20 0.62
CA7 P43166 3/20 0.62
CA9 Q16790 3/20 0.62
CA14 Q9ULX7 3/20 0.62
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
CYBB P04839 1/20 0.52
PTPN1 P18031 1/20 0.50
XDH P47989 1/20 0.50
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 3/20 0.48
MAOB P27338 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3628980 0.84 ESR1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL6667533 0.82 PPARG (0.52) NPC1RAB9AMAPTMAOBSMN1; SMN2
SCHEMBL9750057 0.82 RAB9A (0.58) CA12CA1CA2CA7CA9
SCHEMBL6671600 0.82 RAB9A (0.48) CYBBNPC1RAB9AMAPTMAOB
SCHEMBL11214224 0.81 RAB9A (0.50) NPC1RAB9AMAPTMAOBSMN1; SMN2
SCHEMBL471706 0.81 PPARG (0.61) NPC1RAB9AMAPTMAOBPOLB
SCHEMBL14783632 0.81 CYBB (0.77) CA12CA1CA2CA7CA9
SCHEMBL6394260 0.81 ESR1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL9329226 0.80 MAOB (0.68) CA12CA1CA2CA7CA9
SCHEMBL9749999 0.80 CYBB (0.56) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61291544-A None JP disclosed
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
JP-S61291544-A NOVEL PHENOLIC COMPOUND RICOH CO LTD 1986-12-22 JP disclosed