SCHEMBL26960

SCHEMBL26960

CCOCC1(COS(=O)(=O)c2ccc(C)cc2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C19 P33261 3/20 0.36
STAT3 P40763 1/20 0.36
ALDH1A1 P00352 7/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
PTGS2 P35354 1/20 0.35
GAA P10253 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
VDR P11473 1/20 0.33

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
SCHEMBL7849587 0.90 KMT2A (0.50) KMT2ASMN1; SMN2CYP2C19STAT3ALDH1A1
SCHEMBL11637311 0.88 KMT2A (0.47) KMT2ASMN1; SMN2CYP2C19STAT3ALDH1A1
SCHEMBL18218 0.87 KMT2A (0.47) KMT2ASMN1; SMN2CYP2C19STAT3ALDH1A1
SCHEMBL17442 0.85 KMT2A (0.46) KMT2ASMN1; SMN2CYP2C19STAT3ALDH1A1
SCHEMBL18047923 0.85 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2CYP2C19STAT3ALDH1A1
SCHEMBL16835 0.84 KMT2A (0.44) KMT2ASMN1; SMN2CYP2C19STAT3ALDH1A1
SCHEMBL18334492 0.81 KMT2A (0.41) KMT2ASMN1; SMN2CYP2C19STAT3ALDH1A1
SCHEMBL7863108 0.81 KMT2A (0.45) KMT2ASMN1; SMN2CYP2C19STAT3ALDH1A1
SCHEMBL15362867 0.80 KMT2A (0.37) KMT2ASMN1; SMN2CYP2C19STAT3ALDH1A1
SCHEMBL30140023 0.79 KMT2A (0.42) KMT2ASMN1; SMN2CYP2C19STAT3ALDH1A1

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
WO-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO disclosed