SCHEMBL7769244

SCHEMBL7769244

COC(=O)c1ccc2ccc(OC)c(-c3c(OC)ccc4ccc(C(=O)OC)cc34)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
KMT2A Q03164 3/20 0.55
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
LCK P06239 1/20 0.50
PTPN11 Q06124 1/20 0.49
CYP2C9 P11712 2/20 0.48
CYP3A4 P08684 2/20 0.48
MEN1 O00255 2/20 0.48
USP2 O75604 1/20 0.48
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
XDH P47989 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
PLAU P00749 5/20 0.47
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
PLAT P00750 1/20 0.47
KLK1 P06870 1/20 0.47

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
SCHEMBL29365729 0.80 PTPN11 (0.68) MAPTKMT2ACA1CA2LCK
SCHEMBL69025 0.80 PTPN11 (0.68) MAPTKMT2ACA1CA2LCK
SCHEMBL16502423 0.79 L3MBTL1 (0.44) MAPTKMT2ALCKCYP2C9MEN1
Veratric Acid Methyl Ester SCHEMBL2050732 0.78 MAPT (0.86) MAPTKMT2ACA1CA2CYP2C9
Veratric Acid Methyl Ester SCHEMBL29573244 0.78 MAPT (0.86) MAPTKMT2ACA1CA2CYP2C9
SCHEMBL16502446 0.78 CA1 (0.53) MAPTKMT2ACA1CA2LCK
SCHEMBL16509505 0.78 MAPT (0.44) MAPTKMT2AMEN1LMNA
SCHEMBL16502439 0.78 L3MBTL1 (0.43) MAPTKMT2AMEN1
SCHEMBL8732524 0.78 PTPN11 (0.66) MAPTKMT2ACA1CA2LCK
SCHEMBL27916584 0.77 LCK (0.48) MAPTKMT2ACA1CA2LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839818-B1 Optically active diphosphines, transition metal complex containing the same, and process for producing an optically active compound using the complex TAKASAGO PERFUMERY CO LTD (JP) 2001-08-16 EP disclosed
US-5789609-A CATALYST FOR ASSYMETRIC SYNTHESIS, REACTION OF AN A-CYANO ESTER AND A VINYL KETONE TO PRODUCE AN OXO CYANO ESTER TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-08-04 US disclosed
EP-0839818-A1 Optically active diphosphine, transition metal complex containing the same, and process for producing optically active compound using the complex Takasago International Corporation (JP) 1998-05-06 EP disclosed