SCHEMBL5885255

SCHEMBL5885255

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.37
FDPS P14324 2/20 0.37
ALDH1A1 P00352 2/20 0.35
LMNA P02545 3/20 0.34
CYP2D6 P10635 2/20 0.34
TP53 P04637 2/20 0.34
GMNN O75496 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CETP P11597 1/20 0.34
HTT P42858 1/20 0.34
UBE2N P61088 1/20 0.34
OPRM1 P35372 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7048982 0.91 SPHK1 (0.43) SPHK1FDPSALDH1A1LMNACYP2D6
SCHEMBL11219203 0.91 SPHK1 (0.43) SPHK1FDPSALDH1A1LMNACYP2D6
SCHEMBL28738508 0.84
SCHEMBL9637990 0.82 PTGS1 (0.35) ALDH1A1LMNASMN1; SMN2HSD17B10MEN1
SCHEMBL3298422 0.79 ALDH1A1 (0.38) SPHK1FDPSALDH1A1LMNACYP2D6
SCHEMBL3690006 0.79
SCHEMBL29172096 0.79 ALDH1A1 (0.38) SPHK1FDPSALDH1A1LMNACYP2D6
SCHEMBL8953030 0.77 FDPS (0.38) SPHK1FDPSLMNACYP2D6TP53
SCHEMBL1658447 0.77 ALDH1A1 (0.36) SPHK1FDPSALDH1A1LMNASMN1; SMN2
SCHEMBL18125160 0.77 ALDH1A1 (0.36) SPHK1FDPSALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130164541-A1 CURABLE RESIN COMPOSITION AND MULTI-LAYER LAMINATE MANUFACTURED USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-06-27 US disclosed
US-7022257-B1 Coating composition and floor material coated with said composition SHIN-NAKAMURA CHEMICAL CO., LTD. (JP) 2006-04-04 US disclosed
CN-1057018-C Method for removing carbon dioxide from gas KANSAI POWER CO LTD (JP) 2000-10-04 CN disclosed
US-5618506-A USING AN HYDROXYALKYLAMINE THE KANSAI ELECTRIC POWER CO., INC. (JP) 1997-04-08 US disclosed
CN-1127156-A Method for removing carbon dioxide from gas KANSAI POWER CO LTD (JP) 1996-07-24 CN disclosed