SCHEMBL15028245

SCHEMBL15028245

CN(C)CCCCNP(=O)(OI)OI

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PAOX Q6QHF9 1/20 0.33
DNM1 Q05193 3/20 0.32
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL15028248 0.94 TDP1 (0.36) TSHRALDH1A1PAOXDNM1TDP1
SCHEMBL15786625 0.91 ALDH1A1 (0.33) TSHRALDH1A1PAOX
SCHEMBL15028247 0.86 PRMT3 (0.37) ALDH1A1DNM1TDP1MEN1GAA
SCHEMBL15786595 0.85 TDP1 (0.33) TSHRALDH1A1PAOXDNM1TDP1
SCHEMBL10085303 0.82 TSHR (0.39) TSHRALDH1A1PAOXDNM1TDP1
SCHEMBL10081267 0.78 ALDH1A1 (0.34) TSHRALDH1A1PAOXDNM1
SCHEMBL15786594 0.77 MEN1 (0.34) ALDH1A1TDP1MEN1GAACYP2C9
SCHEMBL15150904 0.76 TDP1 (0.38) TSHRALDH1A1PAOXDNM1TDP1
SCHEMBL15786628 0.76 PAOX (0.36) TSHRALDH1A1PAOXDNM1TDP1
SCHEMBL24172015 0.73 DNM1 (0.47) DNM1MEN1GAACYP2C9CYP2C19

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-2013086322-A1 BRANCHED ALKYL AND CYCLOALKYL TERMINATED BIODEGRADABLE LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS ALNYLAM PHARMACEUTICALS, INC. (US) 2013-06-13 WO disclosed