SCHEMBL7262183

SCHEMBL7262183

CC(=O)c1cc(C)cc(C)c1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.54
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTPN1 P18031 1/20 0.50
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
TSPO P30536 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
ADAM17 P78536 1/20 0.44
FFAR4 Q5NUL3 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
SCHEMBL9191607 0.88 DHODH (0.49) PTPN1LMNAHPGDTHRATHRB
Zinc Ion SCHEMBL9191597 0.86 MMP9 (0.45) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL12771417 0.83 PTPN1 (0.44) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL10481838 0.82 MAPT (0.50) MAOBMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL12771402 0.82 PTPN1 (0.45) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL6458856 0.81 MEN1 (0.48) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL4784102 0.80 MAOB (0.59) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL7916872 0.80 MAOB (0.52) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL14856441 0.79 MAPT (0.55) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL27733164 0.79 BRD4 (0.58) PTPN1LMNAHPGDMEN1KMT2A

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
US-6657052-B1 Labeling DNA or RNA at a specific site consisting of stable precursor, and only becomes reactive upon activation; alkylating only phosphodiester groups; lactonization reaction traps the trialkylphosphate in a stable form. UNIVERSITY OF ARKANSAS 2003-12-02 US disclosed