SCHEMBL27765337

SCHEMBL27765337

COCCOC(C(=O)OC)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.53
KMT2A Q03164 4/20 0.53
HPGD P15428 2/20 0.49
TSHR P16473 2/20 0.46
ALDH1A1 P00352 3/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL31053242 0.87 GLS (0.48) GLSKMT2AHPGDTSHRALDH1A1
SCHEMBL16673029 0.87 KMT2A (0.53) GLSKMT2AHPGDALDH1A1MEN1
SCHEMBL5831517 0.86 GLS (0.52) GLSKMT2AHPGDTSHRALDH1A1
SCHEMBL27634779 0.85 KMT2A (0.55) GLSKMT2AHPGDTSHRALDH1A1
SCHEMBL6697396 0.84 KMT2A (0.50) GLSKMT2AHPGDALDH1A1MEN1
SCHEMBL6624926 0.83 GLS (0.50) GLSKMT2AHPGDTSHRALDH1A1
SCHEMBL16672466 0.83 KMT2A (0.56) KMT2ATSHRALDH1A1PTGS1PTGS2
SCHEMBL6899936 0.82 GLS (0.49) GLSKMT2AHPGDTSHRALDH1A1
SCHEMBL29291224 0.81 NPC1 (0.54) KMT2ATSHRALDH1A1LMNA
SCHEMBL9798388 0.81 MAPT (0.51) KMT2AHPGDALDH1A1MEN1PKM

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
CN-101466678-B Substituted 3-cyanopyridines as protein kinase inhibitors WYETH CORP 2012-12-26 CN disclosed
CN-101466678-A Substituted 3-cyanopyridines as protein kinase inhibitors WYETH CORP (US) 2009-06-24 CN disclosed