SCHEMBL7754907

SCHEMBL7754907

O=C(OCc1ccccc1)N1CCc2cc(O)c(O)cc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.71
RAB9A P51151 3/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
NOTUM Q6P988 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TMEM97 Q5BJF2 5/20 0.45
SIGMAR1 Q99720 5/20 0.45
P2RX4 Q99571 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C19 P33261 1/20 0.43
P2RX1 P51575 1/20 0.43
P2RX3 P56373 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43

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
SCHEMBL30987968 1.00 NPC1 (0.71) NPC1RAB9AL3MBTL1NOTUMSMN1; SMN2
SCHEMBL7749915 0.88 NPC1 (0.62) NPC1RAB9AL3MBTL1NOTUMSMN1; SMN2
SCHEMBL8760465 0.87 NPC1 (0.76) NPC1RAB9AL3MBTL1NOTUMSMN1; SMN2
SCHEMBL29264496 0.85 NPC1 (0.68) NPC1RAB9AL3MBTL1NOTUMSMN1; SMN2
SCHEMBL30659283 0.83 NPC1 (1.00) NPC1RAB9AL3MBTL1NOTUMSMN1; SMN2
SCHEMBL7469639 0.83 NPC1 (1.00) NPC1RAB9AL3MBTL1NOTUMSMN1; SMN2
SCHEMBL8446706 0.82 NPC1 (0.72) NPC1RAB9AL3MBTL1NOTUMSMN1; SMN2
SCHEMBL5215787 0.82 NPC1 (0.72) NPC1RAB9AL3MBTL1NOTUMSMN1; SMN2
SCHEMBL31331181 0.82 NPC1 (0.72) NPC1RAB9AL3MBTL1NOTUMSMN1; SMN2
SCHEMBL18672358 0.82 NPC1 (0.72) NPC1RAB9AL3MBTL1NOTUMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005554-A Synthesis method of 5, 6-dihydroxyindole and intermediate thereof 北京颖诺凯胜科技有限公司 2024-05-10 CN claimed
EP-0604278-B1 Indoline derivatives and dye compositions for keratinic fibres OREAL (FR) 2001-02-21 EP claimed
EP-0709374-B1 Process for the preparation of indol derivatives starting from N-protected indolin compounds OREAL (FR) 1997-06-18 EP claimed
US-5578735-A CATALYTIC HYDROGENATION OF INDOLE COMPOUNDS AND REFLUXING L'OREAL (FR) 1996-11-26 US claimed
US-5556989-A HAIR DYES L'OREAL (FR) 1996-09-17 US claimed
EP-0709374-A1 Process for the preparation of indol derivatives starting from N-protected indolin compounds L'OREAL (FR) 1996-05-01 EP claimed
EP-0604278-A1 Indoline derivatives and dye compositions for keratinic fibres L'OREAL (FR) 1994-06-29 EP claimed
JP-6263730-A None JP disclosed
JP-8225524-A None JP disclosed
CN-118005554-A Synthesis method of 5, 6-dihydroxyindole and intermediate thereof 北京颖诺凯胜科技有限公司 2024-05-10 CN disclosed
EP-0604278-B1 Indoline derivatives and dye compositions for keratinic fibres OREAL (FR) 2001-02-21 EP disclosed
EP-0709374-B1 Process for the preparation of indol derivatives starting from N-protected indolin compounds OREAL (FR) 1997-06-18 EP disclosed
US-5578735-A CATALYTIC HYDROGENATION OF INDOLE COMPOUNDS AND REFLUXING L'OREAL (FR) 1996-11-26 US disclosed
US-5556989-A HAIR DYES L'OREAL (FR) 1996-09-17 US disclosed
JP-H08225524-A PREPARATION OF INDOLE COMPOUND FROM N-PROTECTED INDOLINE L'OREAL SA 1996-09-03 JP disclosed
EP-0709374-A1 Process for the preparation of indol derivatives starting from N-protected indolin compounds L'OREAL (FR) 1996-05-01 EP disclosed
US-5427588-A Oxidation hair dyes; 1-oxy- or aminocarbonyl or oxy- or aminothiocarbonylindololines L'OREAL (FR) 1995-06-27 US disclosed
JP-H06263730-A NOVEL INDOLINE COMPOUND, DYEING COMPOSITION COMPRISING THIS COMPOUND AS BASE AND DYEING PROCESS OF KERATINOUS FIBER L'OREAL SA 1994-09-20 JP disclosed
EP-0604278-A1 Indoline derivatives and dye compositions for keratinic fibres L'OREAL (FR) 1994-06-29 EP disclosed