SCHEMBL26488609

SCHEMBL26488609

COC(=O)C1(CNCc2ccc(OC)cc2OC)CCOc2ccc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.43
MC4R P32245 1/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL26488607 0.68 RARA (0.42) TP53MAPTTHRB
SCHEMBL6578320 0.67 SMN1; SMN2 (0.42) ALDH1A1TP53MAPTPKMKMT2A
SCHEMBL8793923 0.66 AKR1B1 (0.46) ALDH1A1HPGDTP53MAPTPKM
SCHEMBL2295795 0.66 APLNR (0.58) APLNRALDH1A1HPGDTP53MAPT
SCHEMBL5124837 0.66 APLNR (0.55) APLNRMC4RALDH1A1KMT2ATSHR
SCHEMBL783785 0.65 APLNR (1.00) APLNRALDH1A1KMT2ATSHRMEN1
SCHEMBL14934456 0.65 APLNR (0.56) APLNRALDH1A1HPGDMAPTKMT2A
SCHEMBL19431069 0.65 APLNR (0.56) APLNRALDH1A1TP53MAPTKMT2A
SCHEMBL8792757 0.64 AKR1B1 (0.49) ALDH1A1MAPTKMT2AMEN1
SCHEMBL23705042 0.64 RARA (0.37) MAPTKMT2AHTTNPSR1MEN1

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-2023195529-A1 URACIL DERIVATIVE HAVING VIRAL GROWTH INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 塩野義製薬株式会社 2023-10-12 WO disclosed
WO-2023195530-A1 URACIL DERIVATIVE HAVING VIRAL GROWTH INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 塩野義製薬株式会社 2023-10-12 WO disclosed