SCHEMBL5533895

SCHEMBL5533895

CC(c1ccccc1)c1ccc(O)c(C(O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.50
ESR1 P03372 2/20 0.42
PDCD1 Q15116 1/20 0.42
ESR2 Q92731 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
KDM4E B2RXH2 5/20 0.41
LMNA P02545 4/20 0.41
HIF1A Q16665 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
RECQL P46063 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL30336405 0.89 TYR (0.58) TYRESR1PDCD1ESR2CD274
SCHEMBL1345493 0.89 TYR (0.53) TYRESR1PDCD1ESR2CD274
SCHEMBL9081257 0.89 TYR (0.58) TYRESR1PDCD1ESR2CD274
SCHEMBL3265274 0.87 GABRA1 (0.45) TYRKDM4ELMNAHIF1ARECQL
SCHEMBL20920806 0.87 TYR (0.51) TYRESR1PDCD1ESR2CD274
SCHEMBL1345448 0.86 TYR (0.50) TYRESR1PDCD1ESR2CD274
SCHEMBL5712112 0.83 TYR (0.47) TYRESR1PDCD1ESR2CD274
SCHEMBL20917760 0.83 TSHR (0.55) TYRESR1PDCD1ESR2CD274
SCHEMBL1344700 0.83 TYR (0.47) TYRESR1PDCD1ESR2CD274
SCHEMBL9743150 0.81 TYR (0.52) TYRESR1PDCD1ESR2CD274

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-20070099130-A1 Developer for recording materials CHEMIPRO KASEI KAISHA, LTD. (JP) 2007-05-03 US disclosed
EP-1637337-A1 DEVELOPER FOR RECORDING MATERIALS Asahi Kasei Chemicals Corporation (JP) 2006-03-22 EP disclosed