SCHEMBL19685665

SCHEMBL19685665

CC(NP(=O)(O)Oc1cccc2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.45
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
ELANE P08246 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
BTN3A1 O00481 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PSMB5 P28074 1/20 0.39

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
SCHEMBL19685663 1.00 CASP1 (0.45) CASP1MAPTALDH1A1GAAMRGPRX4
SCHEMBL18067131 0.89 ALDH1A1 (0.43) CASP1MAPTALDH1A1GAAMRGPRX4
SCHEMBL18067130 0.89 ALDH1A1 (0.43) CASP1MAPTALDH1A1GAAMRGPRX4
SCHEMBL1743237 0.88 ALDH1A1 (0.42) CASP1MAPTALDH1A1GAAMRGPRX4
SCHEMBL1744521 0.88 ALDH1A1 (0.42) CASP1MAPTALDH1A1GAAMRGPRX4
SCHEMBL29708059 0.88 ALDH1A1 (0.42) CASP1MAPTALDH1A1GAAMRGPRX4
SCHEMBL19827999 0.88 ALDH1A1 (0.42) CASP1MAPTALDH1A1GAAMRGPRX4
SCHEMBL15726979 0.88 ALDH1A1 (0.42) CASP1MAPTALDH1A1GAAMRGPRX4
SCHEMBL22065039 0.87 BTN3A1 (0.51) CASP1MAPTALDH1A1GAAMRGPRX4
SCHEMBL15203143 0.87 BTN3A1 (0.42) CASP1MAPTALDH1A1GAAMRGPRX4

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
WO-2017207993-A1 CANCER TREATMENTS NUCANA BIOMED LIMITED (GB) 2017-12-07 WO disclosed