SCHEMBL12423819

SCHEMBL12423819

COC(=O)CCN(CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)OC)CCC(=O)OC)CCN(CCC(=O)NCCN(CCC(=O)OC)CCC(=O)OC)CCC(=O)NCCN(CCC(=O)OC)CCC(=O)OC)CCC(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 4/20 0.43
RECQL P46063 1/20 0.41
DNM1 Q05193 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
FAAH O00519 1/20 0.33
KDM5A P29375 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 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
SCHEMBL19035553 0.91 CYP1A2 (0.44) KMT2AMEN1TSHRRECQLDNM1
SCHEMBL18174866 0.91 KMT2A (0.43) KMT2AMEN1TSHRRECQLDNM1
SCHEMBL20067042 0.90 MEN1 (0.42) KMT2AMEN1TSHRRECQLDNM1
SCHEMBL12461822 0.89 RECQL (0.52) KMT2AMEN1TSHRRECQLDNM1
SCHEMBL24727476 0.89 TSHR (0.50) KMT2AMEN1TSHRRECQLDNM1
SCHEMBL13913073 0.88 MEN1 (0.43) KMT2AMEN1TSHRRECQLDNM1
SCHEMBL20067053 0.87 MEN1 (0.40) KMT2AMEN1TSHRRECQLDNM1
SCHEMBL17451795 0.86 KMT2A (0.39) KMT2AMEN1TSHRRECQLDNM1
SCHEMBL22414250 0.86 TSHR (0.40) KMT2AMEN1TSHRRECQLDNM1
SCHEMBL17451799 0.86 KMT2A (0.39) KMT2AMEN1TSHRRECQLDNM1

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
US-20130059394-A1 INDICATOR SYSTEM FOR FIBRE OPTIC SENSOR LIGHTSHIP MEDICAL LIMITED (GB) 2013-03-07 US disclosed
WO-2011101624-A1 INDICATOR SYSTEM FOR FIBRE OPTIC SENSOR GLYSURE LTD (GB) 2011-08-25 WO disclosed