SCHEMBL9099162

SCHEMBL9099162

CC(C)(C)OC(=O)Nc1ccc(COC(=O)CC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
PPARG P37231 2/20 0.47
PPARA Q07869 1/20 0.47
SYK P43405 1/20 0.45
ADAMTS4 O75173 1/20 0.45
PTPN11 Q06124 1/20 0.45
DRD2 P14416 1/20 0.44
MAPK14 Q16539 1/20 0.44
NAMPT P43490 2/20 0.44
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
GLS O94925 1/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL29142984 0.85 L3MBTL1 (0.59) CYP17A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL7043026 0.83 POLB (0.62) CYP17A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL1252896 0.81 KMT2A (0.59) CYP17A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL977842 0.81 PTGDR2 (0.60) CYP17A1MEN1KMT2ASMN1; SMN2PTGDR2
SCHEMBL2690874 0.80 MAPT (0.48) MEN1KMT2ASMN1; SMN2SYKMAPT
SCHEMBL7955791 0.80 CYP17A1 (0.57) CYP17A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL16693228 0.80 CYP17A1 (0.51) CYP17A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4143456 0.80 CYP17A1 (0.51) CYP17A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL14861108 0.79 CYP17A1 (0.52) CYP17A1MEN1KMT2APTGDR2PPARG
SCHEMBL3182565 0.79 NAMPT (0.57) CYP17A1MEN1KMT2ASMN1; SMN2L3MBTL1

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-0510831-B1 Low molecular weight monoalkyl phosphinate and phosphonate copolymers ROHM & HAAS (US) 1996-06-12 EP claimed
US-5527524-A AGRICULTURAL, PHARMACEUTICAL, DRUG DELIVERY THE DOW CHEMICAL COMPANY (US) 1996-06-18 US disclosed
WO-1988001180-A1 STARBURST CONJUGATES THE DOW CHEMICAL COMPANY (US) 1988-02-25 WO disclosed