SCHEMBL17442

SCHEMBL17442

CCC1(COS(=O)(=O)c2ccc(C)cc2)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
STAT3 P40763 1/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CYP2C19 P33261 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP2C9 P11712 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL18218 0.98 KMT2A (0.47) KMT2ASMN1; SMN2STAT3ALDH1A1HPGD
SCHEMBL16835 0.95 KMT2A (0.44) KMT2ASMN1; SMN2STAT3ALDH1A1HPGD
SCHEMBL7849587 0.92 KMT2A (0.50) KMT2ASMN1; SMN2STAT3ALDH1A1HPGD
SCHEMBL11637311 0.87 KMT2A (0.47) KMT2ASMN1; SMN2STAT3ALDH1A1HPGD
SCHEMBL7863108 0.87 KMT2A (0.45) KMT2ASMN1; SMN2STAT3ALDH1A1HPGD
SCHEMBL26960 0.85 KMT2A (0.44) KMT2ASMN1; SMN2STAT3ALDH1A1CA12
SCHEMBL15979027 0.85 KMT2A (0.37) KMT2ASMN1; SMN2STAT3ALDH1A1CA12
SCHEMBL8598041 0.85 CYP3A4 (0.46) KMT2ASMN1; SMN2STAT3ALDH1A1HPGD
SCHEMBL18047923 0.84 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2STAT3ALDH1A1CA12
SCHEMBL12246564 0.83 ALDH1A1 (0.40) KMT2ASMN1; SMN2STAT3ALDH1A1CYP3A4

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