SCHEMBL9303147

SCHEMBL9303147

COP(=O)(CC(=O)COc1ccccc1)OC.[LiH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALPL P05186 2/20 0.45
ALPI P09923 2/20 0.45
ALPG P10696 2/20 0.45
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MAPK10 P53779 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 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
SCHEMBL244446 0.98 ALOX15 (0.52) ALOX15CYP2C9CYP2C19CYP1A2KMT2A
SCHEMBL9785295 0.85 MAPT (0.49) KMT2AMEN1ALPLNPC1ALDH1A1
SCHEMBL11822210 0.84 PLA2G4B (0.55) CYP1A2KMT2AMEN1NPC1ALDH1A1
SCHEMBL11821617 0.83 LMNA (0.60) CYP2C19CYP1A2KMT2AMEN1NPC1
SCHEMBL16383050 0.83 ALOX15 (0.57) ALOX15CYP2C9CYP2C19CYP1A2KMT2A
SCHEMBL16601102 0.83 ALOX15 (0.49) ALOX15CYP2C9CYP2C19CYP1A2KMT2A
SCHEMBL9785247 0.83 L3MBTL1 (0.51) CYP2C19CYP1A2KMT2AMEN1NPC1
SCHEMBL9466281 0.83 GAA (0.49) ALOX15KMT2AMEN1NPC1ALDH1A1
SCHEMBL11825441 0.82 LMNA (0.48) CYP2C19CYP1A2KMT2ANPC1ALDH1A1
SCHEMBL11822203 0.82 HSD17B10 (0.53) CYP2C19KMT2AMEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5376683-A Δ8- and Δ9-prostaglandin derivatives, process for their production and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 1994-12-27 US disclosed
US-5235072-A 2-OXABICYCLO(2,2,1)HEPTANE DERIVATIVES AND PHARMACEUTICAL SCHERING AKTIENGSELLSCHAFT (DE) 1993-08-10 US disclosed