SCHEMBL8340319

SCHEMBL8340319

CCCCc1ccc(O)cc1C(=O)c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.56
HTT P42858 3/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX5 P09917 1/20 0.49
ALOX15 P16050 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HSD17B3 P37058 8/20 0.47
PTPN1 P18031 1/20 0.46
EYA3 Q99504 1/20 0.46
LMNA P02545 2/20 0.44
ESR1 P03372 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL11514944 0.85 MEN1 (0.55) TYRHTTTSHRMAPTMEN1
SCHEMBL28168334 0.84 LIG1 (0.53) TYRHTTTSHRMAPTMEN1
SCHEMBL18598996 0.82 TYR (0.61) TYRHTTTSHRMAPTMEN1
SCHEMBL17926251 0.82 TYR (0.61) TYRHTTTSHRMAPTMEN1
SCHEMBL4302296 0.79 HSD17B3 (0.50) TP53CYP3A4HSD17B3PTPN1EYA3
SCHEMBL28496814 0.78 RXRA (0.48) HTTTSHRMAPTMEN1TP53
SCHEMBL29089973 0.76 CYP3A4 (0.63) TYRHTTTSHRMAPTMEN1
SCHEMBL5710052 0.76 MEN1 (0.56) TYRHTTMAPTMEN1TP53
SCHEMBL30320281 0.76 MEN1 (0.56) TYRHTTMAPTMEN1TP53
Benzene SCHEMBL11504828 0.75 MAPT (0.61) TYRHTTTSHRMAPTMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999007694-A1 COMPOUNDS AND USES THEREOF ELI LILLY AND COMPANY (US) 1999-02-18 WO disclosed