SCHEMBL9792009

SCHEMBL9792009

CCc1ccc(C2[C@]3(O)C(O)C(c4ccc(C(=O)OC)cc4)[C@]3(O)[C@]2(O)[C@H](O)CO)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
CYP4F2 P78329 1/20 0.36
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 3/20 0.34
CYP3A4 P08684 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL8555860 0.94 NPC1 (0.37) CYP4A11LOXL2CYP4F2MAPTALDH1A1
SCHEMBL379855 0.90 SLC5A2 (0.32)
SCHEMBL9792014 0.89 CA1 (0.45) MAPTALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL9792015 0.89 CA1 (0.45) MAPTALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL815322 0.85 ADCY2 (0.32) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL813371 0.85 SLC5A2 (0.32)
SCHEMBL812905 0.85 SLC5A2 (0.32)
SCHEMBL1221653 0.85 SLC5A2 (0.32) HTT
SCHEMBL9792019 0.84 ALDH1A1 (0.42) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9791984 0.84 CYP4F2 (0.41) CYP4A11CYP4F2MAPTALDH1A1NPC1

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