SCHEMBL8673136

SCHEMBL8673136

COC(=O)COc1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.50
MAPT P10636 4/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.49
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GLA P06280 1/20 0.43
PPARD Q03181 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
SCHEMBL7327533 0.87 PTGS2 (0.50) PTGS2MAPTKMT2AL3MBTL1GAA
SCHEMBL29645006 0.84 MLYCD (0.56) PTGS2MAPTKMT2AL3MBTL1GAA
SCHEMBL3281422 0.83 SMN1; SMN2 (0.62) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL8676787 0.83 HDAC1 (0.48) MAPTALDH1A1NPC1
SCHEMBL2116437 0.82 PTGS2 (0.66) PTGS2MAPTKMT2AL3MBTL1GAA
SCHEMBL8673991 0.82 CYP19A1 (0.47) MAPTKMT2AL3MBTL1GAAPOLB
SCHEMBL8675397 0.82 MAPT (0.42) PTGS2MAPTKMT2AL3MBTL1GAA
SCHEMBL8674057 0.81 ALDH1A1 (0.57) MAPTKMT2AGAAALDH1A1MEN1
SCHEMBL10299626 0.81 PTGS2 (0.57) PTGS2MAPTKMT2AL3MBTL1GAA
SCHEMBL10299624 0.80 CES1 (0.51) PTGS2MAPTKMT2AL3MBTL1GAA

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
US-5837746-A Coreactive photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-11-17 US disclosed
US-5744512-A Coreactive photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-04-28 US disclosed
US-5532112-A PHOTOPOLYMERIZATION CIBA-GEIGY CORPORATION (US) 1996-07-02 US disclosed