SCHEMBL9750057

SCHEMBL9750057

O=C(OCc1ccccc1Cl)c1ccc(O)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
MAPT P10636 3/20 0.58
NPC1 O15118 2/20 0.55
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
TDP1 Q9NUW8 2/20 0.53
CYBB P04839 1/20 0.52
PTPN1 P18031 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
MMP1 P03956 1/20 0.50

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
SCHEMBL9750015 0.87 TYR (0.58) RAB9AMAPTNPC1L3MBTL1TDP1
SCHEMBL831262 0.84 MAPT (0.68) RAB9AMAPTNPC1ESR1ESR2
SCHEMBL9750011 0.82 CA12 (0.62) RAB9AMAPTNPC1ESR1ESR2
SCHEMBL5421974 0.81 L3MBTL1 (0.72) RAB9AMAPTNPC1L3MBTL1TDP1
SCHEMBL14783632 0.81 CYBB (0.77) RAB9AMAPTNPC1ESR1ESR2
SCHEMBL14129928 0.81 MAPT (0.63) RAB9AMAPTNPC1ESR1ESR2
SCHEMBL7542989 0.80 NR4A2 (0.68) RAB9AMAPTNPC1L3MBTL1TDP1
SCHEMBL9749999 0.80 CYBB (0.56) RAB9AMAPTNPC1ESR1ESR2
SCHEMBL537056 0.78 LMNA (0.70) RAB9AMAPTNPC1ESR1ESR2
SCHEMBL30003717 0.78 MAOB (0.51) MAPTESR1ESR2CA12CA1

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