SCHEMBL11807876

SCHEMBL11807876

CN(CC(=O)c1ccc2c(c1)Cc1cc(C(=O)CN(C)C3CCCCC3)ccc1O2)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ POLB P06746 5/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CTNNB1 P35222 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL11794930 0.82 ALDH1A1 (0.45) NPC1RAB9AALDH1A1L3MBTL1MAPT
Hydrochloric Acid SCHEMBL11797777 0.81 ALDH1A1 (0.44) NPC1RAB9AALDH1A1L3MBTL1MAPT
Hydrochloric Acid SCHEMBL6379054 0.80 ALDH1A1 (0.43) NPC1RAB9AALDH1A1L3MBTL1MAPT
SCHEMBL11801974 0.77 MAPT (0.48) NPC1RAB9AALDH1A1MAPTATM
SCHEMBL11679299 0.73 L3MBTL1 (0.50) NPC1RAB9AALDH1A1L3MBTL1MAPT
SCHEMBL4965877 0.73 HRH3 (0.44) NPC1RAB9A
SCHEMBL5332624 0.73 HRH3 (0.44) NPC1RAB9A
SCHEMBL11801251 0.73 ALDH1A1 (0.43) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL11797748 0.72 SLC6A4 (0.46) ALDH1A1L3MBTL1MAPTCTNNB1WNT3A
SCHEMBL11732460 0.72 MEN1 (0.36) NPC1RAB9AMEN1KMT2A

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
US-3957989-A ADMINISTERING RICHARDSON-MERRELL INC. (US) 1976-05-18 — — US disclosed
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