SCHEMBL5497301

SCHEMBL5497301

O=C(O)CCCCCCCNC(=O)c1cc(Cl)ccc1O.[Na].[Na]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.68
TDP1 Q9NUW8 1/20 0.60
MAPK1 P28482 1/20 0.54
NAAA Q02083 1/20 0.52
KCNMA1 Q12791 1/20 0.51
FABP4 P15090 1/20 0.50
TMPRSS4 Q9NRS4 2/20 0.49
PTGS1 P23219 1/20 0.48
P2RX1 P51575 3/20 0.48
P2RX4 Q99571 1/20 0.48
P2RX7 Q99572 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TUBB P07437 1/20 0.47
CA12 O43570 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47

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
SCHEMBL29383677 0.99 CDK1 (0.70) CDK1TDP1MAPK1NAAAKCNMA1
SCHEMBL14567055 0.99 CDK1 (0.70) CDK1TDP1MAPK1NAAAKCNMA1
SCHEMBL446310 0.99 CDK1 (0.70) CDK1TDP1MAPK1NAAAKCNMA1
SCHEMBL2330852 0.97 CDK1 (0.68) CDK1TDP1MAPK1NAAAKCNMA1
SCHEMBL4622847 0.97 CDK1 (0.72) CDK1TDP1MAPK1NAAAKCNMA1
Trimethylammonium SCHEMBL29036046 0.94 CDK1 (0.64) CDK1TDP1MAPK1NAAAKCNMA1
Alcohol SCHEMBL1277192 0.94 CDK1 (0.67) CDK1TDP1MAPK1NAAAKCNMA1
SCHEMBL2330956 0.93 CDK1 (0.74) CDK1TDP1MAPK1NAAAKCNMA1
Alcohol SCHEMBL2337118 0.92 CDK1 (0.66) CDK1TDP1MAPK1NAAAKCNMA1
Pyrrole SCHEMBL30481042 0.91 CDK1 (0.61) CDK1TDP1MAPK1NAAAKCNMA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232524-A1 Oral administration of calcitonin NOVARTIS AG (CH) 2007-10-04 US claimed
US-20060135402-A1 Oral administration of calcitonin AZRIA MOISE 2006-06-22 US claimed
EP-1526871-A1 ORAL ADMINISTRATION OF CALCITONIN Novartis AG (CH) 2005-05-04 EP claimed
WO-2004012772-A1 ORAL ADMINISTRATION OF CALCITONIN NOVARTIS AG (CH) 2004-02-12 WO claimed