SCHEMBL9749999

SCHEMBL9749999

O=C(OCc1cccc2ccccc12)c1ccc(O)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 0.56
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
PPARG P37231 1/20 0.50
PARP10 Q53GL7 1/20 0.49
PTPN1 P18031 1/20 0.48
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
EPHX1 P07099 1/20 0.45
XDH P47989 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.43

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
SCHEMBL9749966 0.87 TYR (0.56) CYBBPPARGPARP10EPHX1SPHK2
SCHEMBL30275451 0.85 PPARG (0.59) CYBBESR1ESR2CA12CA1
Hydrogen Sulfide SCHEMBL28973277 0.84 PPARG (0.57) CYBBESR1ESR2CA12CA1
SCHEMBL14783632 0.81 CYBB (0.77) CYBBESR1ESR2CA12CA1
SCHEMBL22171644 0.81 PPARG (0.54) PPARGPARP10USP2TSHRHSD17B10
SCHEMBL9750011 0.80 CA12 (0.62) CYBBESR1ESR2CA12CA1
SCHEMBL9750057 0.80 RAB9A (0.58) CYBBESR1ESR2CA12CA1
SCHEMBL7221633 0.78 PPARG (0.45) CYBBPPARGPARP10USP2TSHR
SCHEMBL14560472 0.76 APP (0.57) EPHX1
SCHEMBL537056 0.76 LMNA (0.70) ESR1ESR2CA12CA1CA2

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