SCHEMBL9791908

SCHEMBL9791908

CNC(=O)c1ccc(C2[C@]3(O)C(O)C(c4ccc(C(=O)Nc5ccccc5)cc4)[C@]3(O)[C@]2(O)[C@H](O)CO)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
PTPN1 P18031 2/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 2/20 0.35

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
SCHEMBL9791977 1.00 MAOA (0.38) MAOAMAOBPTPN1NPC1RAB9A
SCHEMBL9792029 0.95 MAOA (0.41) MAOAMAOBPTPN1NPC1RAB9A
SCHEMBL9796136 0.93 PLK1 (0.33) SMN1; SMN2HTTHDAC2HDAC8HDAC6
SCHEMBL9791996 0.93 PLK1 (0.33) SMN1; SMN2HTTHDAC2HDAC8HDAC6
SCHEMBL9791972 0.92 RAB9A (0.43) MAOAMAOBPTPN1NPC1RAB9A
SCHEMBL9792026 0.91 HPGD (0.35) SMN1; SMN2HTTHDAC2HDAC8HDAC6
SCHEMBL9792018 0.91 RAB9A (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL9791969 0.87 MMP13 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL9792022 0.87 HTT (0.34) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL9792013 0.87 USP7 (0.34) SMN1; SMN2HTTHDAC2HDAC8HDAC6

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-4996334-A Dibenzylidenesorbitols for gelatinizing oils and liquids, increasing transparency and rigidity in resins, improving viscosity of coatings and stabilizing emulsions MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-02-26 US disclosed