SCHEMBL16638805

SCHEMBL16638805

CCOC(=O)c1occ(C(C)=O)c(=O)c1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KCNA2 P16389 1/20 0.41
KCNA5 P22460 1/20 0.41
KCNA1 Q09470 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KCNA3 P22001 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL15934472 0.93 MAOB (0.53) MAOBL3MBTL1LMNAGAAKMT2A
SCHEMBL4545481 0.92 MAOB (0.46) MAOBL3MBTL1LMNAGAAKMT2A
SCHEMBL15934631 0.91 MAOB (0.51) MAOBL3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL17852726 0.90 MAOB (0.47) MAOBL3MBTL1LMNAGAAKMT2A
SCHEMBL19220605 0.88 LMNA (0.49) MAOBL3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL15934730 0.88 MAPT (0.48) MAOBL3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL18854360 0.87 MAOB (0.50) MAOBL3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL19334690 0.87 MAOB (0.52) MAOBL3MBTL1LMNAGAAKMT2A
SCHEMBL4545480 0.87 MAOB (0.45) MAOBL3MBTL1LMNAGAAKMT2A
SCHEMBL10188415 0.87 MAOB (0.46) MAOBL3MBTL1MAPTCYP2C9CYP2C19

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
EP-2540720-B1 1,3,4,8-TETRAHYDRO-2H-PYRIDO[1,2-A]PYRAZINE DERIVATIVE AND USE OF SAME AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2015-04-15 EP disclosed