SCHEMBL11328501

SCHEMBL11328501

CCCCC(C)C(N)(O)CCCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.38
SLC15A1 P46059 1/20 0.36
OPRM1 P35372 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
DPP7 Q9UHL4 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMPD1 P17405 2/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DNM1 Q05193 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
SCHEMBL8523721 0.89 OPRM1 (0.43) FDPSOPRM1CA1SPHK1TP53
SCHEMBL29265232 0.85 OPRM1 (0.43) FDPSOPRM1CA1SPHK1TP53
SCHEMBL29100513 0.80 OPRM1 (0.39) FDPSOPRM1CA1CA2SPHK1
SCHEMBL2138289 0.80 FDPS (0.42) FDPSSLC15A1CA1CA2DPP7
SCHEMBL29265238 0.78 OPRM1 (0.44) FDPSOPRM1CA1SPHK1TP53
Water SCHEMBL28479342 0.78 FDPS (0.41) FDPSSLC15A1CA1CA2DPP7
Bromide SCHEMBL28556012 0.78 FDPS (0.41) FDPSSLC15A1CA1CA2DPP7
SCHEMBL22027682 0.77 TSHR (0.38) FDPSSLC15A1OPRM1CA1CA2
SCHEMBL27924094 0.77 FDPS (0.40) FDPSSLC15A1OPRM1SPHK1TP53
SCHEMBL3311714 0.77 OPRM1 (0.37) FDPSSLC15A1OPRM1CA1CA2

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-4256621-A A CONJUGATED DIENE POLYMER MODIFIED BY MALEIC ANHYDRIDE, AN AMINE-CONTAINING ALCOHOL, AN EPOXY COMPOUND, A PRIMARY OR SECONDARY AMINE, AND A PARTIALLY BLOCKED ISOCYANATE; PRIMERS FOR CARS NIPPON SODA COMPANY, LTD. (JP) 1981-03-17 US disclosed
US-4210489-A Method of imparting wet strength to paper products W. R. GRACE & CO. (US) 1980-07-01 US disclosed