SCHEMBL9792018

SCHEMBL9792018

COc1ccc(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 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.46
NPC1 O15118 9/20 0.46
KCNK9 Q9NPC2 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
TP53 P04637 3/20 0.44
ALOX15 P16050 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
GSK3B P49841 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
EPHX2 P34913 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.40

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
SCHEMBL9792029 0.93 MAOA (0.41) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL9791972 0.91 RAB9A (0.43) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL9791908 0.91 MAOA (0.38) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL9791977 0.91 MAOA (0.38) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL9791980 0.88 PLK1 (0.47) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL9791917 0.88 PLK1 (0.47) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL9792015 0.85 CA1 (0.45) NPC1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL9792014 0.85 CA1 (0.45) NPC1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL9792001 0.84 NPC1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL812653 0.84 SLC5A2 (0.34) KMT2AMEN1ALDH1A1GAALMNA

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