SCHEMBL3478652

SCHEMBL3478652

COC(=O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.49
IP6K1 Q92551 1/20 0.43
LMNA P02545 3/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 3/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HTT P42858 2/20 0.42
FGB P02675 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
HPGD P15428 1/20 0.42
ALOX5 P09917 1/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 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
SCHEMBL13196487 0.80 GAA (0.59) MAPK1GAAKMT2AMEN1POLB
SCHEMBL8273477 0.79 GAA (0.57) MAPK1GAAKMT2AMEN1POLB
SCHEMBL3468468 0.77 KMT2A (0.48) MAPK1GAAKMT2AMEN1POLB
SCHEMBL30459975 0.76 PGR (0.51) MAPK1KMT2AMEN1IP6K1LMNA
SCHEMBL29041890 0.76 PGR (0.51) MAPK1KMT2AMEN1IP6K1LMNA
SCHEMBL5335747 0.76 GAA (0.62) MAPK1GAAKMT2AMEN1POLB
SCHEMBL12548325 0.76 IP6K1 (0.57) IP6K1LMNAALDH1A1
SCHEMBL13196473 0.76 GAA (0.57) MAPK1GAAKMT2AMEN1POLB
SCHEMBL4904403 0.75 IP6K1 (0.45) MAPK1GAAKMT2AMEN1IP6K1
SCHEMBL8273542 0.74 KMT2A (0.88) MAPK1GAAKMT2AMEN1POLB

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
WO-2010077839-A1 SUBSTITUTED OXINDOL CB2 AGONISTS FOR PAIN TREATMENT WYETH LLC (FORMERLY KNOWN AS WYETH) (US) 2010-07-08 WO disclosed
WO-2010077839-A1 SUBSTITUTED OXINDOL CB2 AGONISTS FOR PAIN TREATMENT WYETH LLC (FORMERLY KNOWN AS WYETH) (US) 2010-07-08 WO disclosed