SCHEMBL8675397

SCHEMBL8675397

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 1/20 0.42
AOC3 Q16853 2/20 0.40
MAOB P27338 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
LMNA P02545 2/20 0.37
PLA2G4B P0C869 1/20 0.37
PTGS2 P35354 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3372470 0.82 NPC1 (0.52) MAPTL3MBTL1KMT2ASMN1; SMN2ADRB2
SCHEMBL8673136 0.82 PTGS2 (0.50) MAPTGAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL19506910 0.80 MAPT (0.42) MAPTGAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL16561460 0.80 MAPT (0.41) MAPTGAAL3MBTL1ADRB2ADRB1
SCHEMBL3281422 0.79 SMN1; SMN2 (0.62) MAPTKMT2ASMN1; SMN2PLA2G4BALDH1A1
SCHEMBL16561606 0.78 ELANE (0.45) MAPTL3MBTL1KMT2ASMN1; SMN2
SCHEMBL19315946 0.77 L3MBTL1 (0.40) MAPTGAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL8673991 0.77 CYP19A1 (0.47) MAPTGAAL3MBTL1KMT2AAOC3
SCHEMBL8674750 0.77 ALDH1A1 (0.43) MAPTGAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL3977620 0.77 L3MBTL1 (0.42) MAPTGAAL3MBTL1MAOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5744512-A Coreactive photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-04-28 US claimed
EP-0281941-B1 Coreactive photoinitiators CIBA GEIGY AG (CH) 1993-12-08 EP claimed
US-5837746-A Coreactive photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-11-17 US disclosed
US-5532112-A PHOTOPOLYMERIZATION CIBA-GEIGY CORPORATION (US) 1996-07-02 US disclosed