SCHEMBL9724299

SCHEMBL9724299

COC(=O)c1c(OCc2ccccc2)ccc(OCc2ccccc2)c1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
LMNA P02545 2/20 0.56
BRD4 O60885 1/20 0.54
SMPD1 P17405 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CA9 Q16790 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
HSD17B10 Q99714 2/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
RXRA P19793 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL28511377 0.87 HPGD (0.55) HPGDLMNABRD4SMPD1HDAC1
SCHEMBL5503391 0.87 NCEH1 (0.59) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL9724233 0.86 SMN1; SMN2 (0.55) HPGDLMNABRD4SMPD1HDAC1
SCHEMBL5120937 0.86 CA12 (0.59) HPGDLMNABRD4CA9RAB9A
SCHEMBL9724243 0.86 HPGD (0.57) HPGDLMNABRD4SMPD1HDAC1
SCHEMBL4599529 0.86 SMPD1 (0.54) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL1097551 0.86 SGMS2 (0.54) HPGDLMNABRD4SMN1; SMN2RAB9A
SCHEMBL25246749 0.84 MEN1 (0.55) LMNABRD4CA9SMN1; SMN2RAB9A
SCHEMBL27870706 0.84 LMNA (0.48) HPGDLMNABRD4SMPD1HDAC1
SCHEMBL7281267 0.84 CLCN2 (0.55) HPGDLMNABRD4SMPD1HDAC1

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-5166208-A Antitumor agents; antibiotics BOSTON COLLEGE (US) 1992-11-24 US disclosed