Propylamine

Propylamine

SCHEMBL8915829

CCCCCCCCCCCC(C)(C)OS(=O)(=O)O.CCCN

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.41
FDPS P14324 2/20 0.41
DNM1 Q05193 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
EPHX1 P07099 1/20 0.35
CA1 P00915 6/20 0.35
CA2 P00918 6/20 0.35
CA9 Q16790 6/20 0.35
CA12 O43570 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 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
SCHEMBL2925757 0.93 GGPS1 (0.39) SMPD1FDPSCA1CA2
SCHEMBL28946291 0.93 GGPS1 (0.39) SMPD1FDPSCA1CA2
SCHEMBL19287538 0.83 CA1 (0.33) SMPD1FDPSTSHRCA1CA2
SCHEMBL23127616 0.81 GGPS1 (0.34) SMPD1FDPSCA1CA2
SCHEMBL26327296 0.78 GGPS1 (0.39) SMPD1FDPSCA1CA2
SCHEMBL5278469 0.78 ALDH1A1 (0.43) ALDH1A1TSHREPHX1CA1CA2
SCHEMBL5276341 0.78 ALDH1A1 (0.43) ALDH1A1TSHREPHX1CA1CA2
SCHEMBL778000 0.77 LMNA (0.33) FDPS
SCHEMBL4837808 0.77 ALOX15 (0.37)
Ammonia Solution, Strong SCHEMBL2978059 0.76 CA1 (0.41) SMPD1FDPSTSHRCA1CA2

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
JP-9171090-A None JP disclosed
JP-H09171090-A MANUFACTURE OF NUCLEAR FUEL PELLET COMPOSED MAINLY OF MIXED OXIDE OF URANIUM AND PLUTONIUM AND CONTAINING ORGANIC SULFUR COMPOUND AS ADDITIVE COMMISS ENERG ATOM 1997-06-30 JP disclosed