SCHEMBL28631610

SCHEMBL28631610

O=C(NCCc1ccc(Br)cc1)OC(=O)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ HPGD P15428 2/20 0.48
▸ GAA P10253 1/20 0.44
▸ TPSAB1 Q15661 1/20 0.43
▸ TPSD1 Q9BZJ3 1/20 0.43
▸ TPSG1 Q9NRR2 1/20 0.43
▸ FPR2 P25090 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ HTT P42858 1/20 0.42
▸ PLAAT3 P53816 1/20 0.41
▸ PLAAT5 Q96KN8 1/20 0.41
▸ PLAAT2 Q9NWW9 1/20 0.41
▸ PLAAT4 Q9UL19 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL28625455 0.88 KDM4E (0.49) NPC1SMN1; SMN2GAATPSAB1TPSD1
SCHEMBL28923423 0.86 CNR1 (0.51) NPC1SMN1; SMN2HPGDGAACNR1
SCHEMBL28640398 0.86 ALDH1A1 (0.49) NPC1SMN1; SMN2HPGDGAAALDH1A1
SCHEMBL28109095 0.86 NPC1 (0.50) NPC1SMN1; SMN2HPGDTPSAB1TPSD1
SCHEMBL28630343 0.84 GLA (0.58) NPC1SMN1; SMN2GAAALDH1A1RAB9A
SCHEMBL28625023 0.83 CYP3A4 (0.47) SMN1; SMN2HPGDGAATPSAB1TPSD1
SCHEMBL28622914 0.80 CES2 (0.52) NPC1SMN1; SMN2HPGDGAATPSAB1
SCHEMBL28426547 0.80 SMN1; SMN2 (0.52) NPC1SMN1; SMN2HPGDGAAALDH1A1
SCHEMBL27875350 0.78 HPGD (0.49) NPC1SMN1; SMN2HPGDALDH1A1RAB9A
SCHEMBL2021427 0.75 FPR2 (0.58) NPC1SMN1; SMN2GAAFPR2CNR1

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-109641878-B DIPROVOCIM: effective TLR agonist 斯克里普斯研究学院 2021-09-14 — — CN disclosed
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