SCHEMBL5517880

SCHEMBL5517880

CCCCCCCCCCCCc1ccc(O)c(C(O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.56
PTGS2 P35354 4/20 0.53
ESR1 P03372 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
CYP3A4 P08684 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
SHBG P04278 1/20 0.53
TP53 P04637 1/20 0.53
HSPD1 P10809 1/20 0.53
ADRB3 P13945 1/20 0.53
HTR2C P28335 1/20 0.53
HSPE1 P61604 1/20 0.53
HIF1A Q16665 1/20 0.53

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
SCHEMBL27755456 1.00 KAT8 (0.56) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL27445082 1.00 KAT8 (0.56) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL10743683 0.98 KAT8 (0.54) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL4649418 0.88 KAT8 (0.62) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL7247329 0.87 KAT8 (0.56) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL27798114 0.87 KAT8 (0.56) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL27798105 0.87 KAT8 (0.56) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL21295932 0.86 CNR1 (0.60) CYP3A4KDM4EALDH1A1HIF1AHSD17B10
SCHEMBL29079432 0.85 KAT8 (0.55) KAT8PTGS2ESR1ADRA2AADORA3
SCHEMBL29079407 0.85 KAT8 (0.55) KAT8PTGS2ESR1ADRA2AADORA3

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