SCHEMBL22121210

SCHEMBL22121210

COC(=O)c1ccc(NCc2ccc(OC)cc2OC)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ GAA P10253 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ KDM4C Q9H3R0 1/20 0.52
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ APLNR P35414 1/20 0.49
▸ PTGER4 P35408 2/20 0.46
▸ USP2 O75604 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45

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
SCHEMBL28545286 0.85 ALDH1A1 (0.52) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL12004538 0.83 GAA (0.54) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL22121183 0.82 MAPT (0.54) ALDH1A1GAAMAPTKDM4EKDM4C
SCHEMBL31072837 0.80 HDAC8 (0.57) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL20912613 0.78 KDM4C (0.52) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL24636086 0.77 APLNR (0.56) ALDH1A1GAAHSD17B10MAPTKDM4C
SCHEMBL12751066 0.77 APLNR (0.50) ALDH1A1GAAHSD17B10MAPTKDM4C
SCHEMBL1265017 0.77 CYP3A4 (0.52) ALDH1A1GAAHSD17B10KDM4CAPLNR
SCHEMBL1180032 0.77 LOXL2 (0.53) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL28091611 0.76 CYP1A2 (0.58) ALDH1A1HSD17B10KDM4CUSP2CYP1A2

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
WO-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
WO-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
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