SCHEMBL29134566

SCHEMBL29134566

COC(=O)c1ccc2cc(CS(=O)(=O)O)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.50
POLB P06746 2/20 0.49
PTPN11 Q06124 2/20 0.49
LCK P06239 1/20 0.47
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
PLAU P00749 1/20 0.45
CYP4A11 Q02928 2/20 0.44
CYP4F2 P78329 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MAPT P10636 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
XDH P47989 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
SCHEMBL21914682 0.84 LOXL2 (0.65) LOXL2CYP4A11CYP4F2MAPTCYP3A4
SCHEMBL3932525 0.83 LOXL2 (0.66) LOXL2POLBCYP4A11CYP4F2MAPT
SCHEMBL12015399 0.82 PTPN11 (0.55) LOXL2POLBPTPN11LCKALOX15
SCHEMBL5776604 0.81 PTPN11 (0.54) LOXL2POLBPTPN11LCKALOX15
SCHEMBL69025 0.80 PTPN11 (0.68) PTPN11LCKALOX15HTTPLAU
SCHEMBL29365729 0.80 PTPN11 (0.68) PTPN11LCKALOX15HTTPLAU
SCHEMBL16485169 0.80 PTPN11 (0.53) LOXL2POLBPTPN11LCKALOX15
SCHEMBL30917343 0.80 PTPN11 (0.53) LOXL2POLBPTPN11LCKALOX15
SCHEMBL7440151 0.80 PTPN11 (0.53) LOXL2POLBPTPN11LCKALOX15
SCHEMBL21843484 0.79 POLB (0.47) LOXL2POLBPTPN11LCKALOX15

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
CN-117324042-A Catalytic system for deoxidizing phenolic derivative, and mild and efficient deoxidizing method and application thereof 中国科学院长春应用化学研究所 2024-01-02 CN disclosed