SCHEMBL29084591

SCHEMBL29084591

CCOc1c(C=O)ccc(O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ERN1 O75460 5/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
LMNA P02545 1/20 0.39
TLR4 O00206 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL31563655 1.00 ALDH1A1 (0.47) ALDH1A1CA1CA2ERN1KDM4E
SCHEMBL4657547 0.87 ALDH1A1 (0.49) ALDH1A1CA1CA2ERN1KDM4E
SCHEMBL28265532 0.86 ALDH1A1 (0.47) ALDH1A1CA1CA2ERN1MAPT
SCHEMBL27386792 0.83 CA1 (0.57) ALDH1A1CA1CA2ERN1MAPT
SCHEMBL28472819 0.83 ALDH1A1 (0.45) ALDH1A1CA1CA2ERN1KDM4E
SCHEMBL27683962 0.83 CA1 (0.57) ALDH1A1CA1CA2ERN1MAPT
SCHEMBL3798221 0.82 ALDH1A1 (0.47) ALDH1A1CA1CA2ERN1KDM4E
SCHEMBL1004130 0.79 CA1 (0.61) ALDH1A1CA1CA2ERN1HPGD
SCHEMBL16097528 0.79 ALDH1A1 (0.45) ALDH1A1CA1CA2ERN1KDM4E
SCHEMBL16096174 0.79 ALDH1A1 (0.45) ALDH1A1CA1CA2ERN1KDM4E

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
CN-116830036-A Two-component system 西托斯股份公司 2023-09-29 CN disclosed