SCHEMBL31388343

SCHEMBL31388343

CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR5A2 O00482 2/20 0.81
▸ NR5A1 Q13285 2/20 0.81
▸ SMN1; SMN2 Q16637 1/20 0.81
▸ ALDH1A1 P00352 1/20 0.81
▸ MAPT P10636 1/20 0.72
▸ RECQL P46063 1/20 0.65
▸ FABP3 P05413 1/20 0.64
▸ SELP P16109 1/20 0.60
▸ S1PR1 P21453 1/20 0.55
▸ ADRA1D P25100 1/20 0.55
▸ PTAFR P25105 1/20 0.55
▸ HTR1D P28221 1/20 0.55
▸ HTR2C P28335 1/20 0.55
▸ ADRA1B P35368 1/20 0.55
▸ DRD3 P35462 1/20 0.55
▸ TMEM97 Q5BJF2 1/20 0.55
▸ PRKCE Q02156 1/20 0.53
▸ PRKCQ Q04759 1/20 0.53
▸ PRKCD Q05655 1/20 0.53
▸ PRKCA P17252 1/20 0.53

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
SCHEMBL31515900 0.99 NR5A2 (0.83) NR5A2NR5A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4182988 0.99 NR5A2 (0.83) NR5A2NR5A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL234615 0.99 NR5A2 (0.83) NR5A2NR5A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL25777 0.99 NR5A2 (0.83) NR5A2NR5A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL233018 0.99 NR5A2 (0.83) NR5A2NR5A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL23834444 0.99 NR5A2 (0.83) NR5A2NR5A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10498201 0.99 NR5A2 (0.83) NR5A2NR5A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL13735582 0.99 NR5A2 (0.83) NR5A2NR5A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3730490 0.99 NR5A2 (0.83) NR5A2NR5A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL31469179 0.99 NR5A2 (0.83) NR5A2NR5A1SMN1; SMN2ALDH1A1MAPT

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
CN-119139345-A Application of multi-target nano sulfur antifungal agent in-vivo and in-vitro efficient pathogenic fungus killing 重庆医科大学 2024-12-17 — — CN disclosed
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