SCHEMBL23322282

SCHEMBL23322282

CCC(C)c1cc(Oc2ccccc2Oc2cccc(Oc3ccccc3N)c2)cc(Oc2ccccc2Oc2cccc(Oc3ccccc3N)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
GAA P10253 3/20 0.54
RCE1 Q9Y256 1/20 0.45
TLR4 O00206 1/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX5 P09917 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
PTGS1 P23219 2/20 0.35
SLC7A5 Q01650 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADRA2B P18089 1/20 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
SCHEMBL30309874 0.97 GAA (0.54) ALDH1A1GAARCE1TLR4USP2
SCHEMBL1270576 0.97 GAA (0.54) ALDH1A1GAARCE1TLR4USP2
SCHEMBL26105635 0.92 GAA (0.54) ALDH1A1GAARCE1TLR4USP2
SCHEMBL1482831 0.81 ALDH1A1 (0.58) ALDH1A1GAARCE1TLR4L3MBTL1
SCHEMBL1270999 0.80 ALDH1A1 (0.72) ALDH1A1GAARCE1TLR4L3MBTL1
SCHEMBL6290693 0.80 MAOB (0.51) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL6290763 0.80 MAOB (0.51) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL1270032 0.78 ALDH1A1 (0.70) ALDH1A1GAARCE1TLR4L3MBTL1
SCHEMBL6289870 0.78 ALDH1A1 (0.70) ALDH1A1GAARCE1TLR4L3MBTL1
SCHEMBL6290498 0.78 ALDH1A1 (0.70) ALDH1A1GAARCE1TLR4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139390-A1 PRODUCTION METHOD OF ORGANIC COMPOUND UNITIKA LTD. (JP) 2021-05-13 US disclosed
EP-3819283-A1 METHOD FOR PRODUCING ORGANIC COMPOUND Unitika Ltd. (JP) 2021-05-12 EP disclosed