SCHEMBL29378940

SCHEMBL29378940

CCCOc1cc(CC(=O)N[C@@H](C)c2ccccc2)ccc1OC

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
C5 P01031 2/20 0.58
NPSR1 Q6W5P4 1/20 0.57
PTGDR2 Q9Y5Y4 1/20 0.55
ALDH1A1 P00352 3/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.52
GAA P10253 1/20 0.51
CTSD P07339 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48

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
SCHEMBL22502244 1.00 KMT2A (0.64) KMT2AC5NPSR1PTGDR2ALDH1A1
SCHEMBL22502246 1.00 KMT2A (0.64) KMT2AC5NPSR1PTGDR2ALDH1A1
SCHEMBL29924325 0.90 KMT2A (0.77) KMT2APTGDR2ALDH1A1MAPTHPGD
SCHEMBL28901354 0.90 KMT2A (0.77) KMT2APTGDR2ALDH1A1MAPTHPGD
SCHEMBL28901353 0.90 KMT2A (0.77) KMT2APTGDR2ALDH1A1MAPTHPGD
SCHEMBL29924236 0.90 KMT2A (0.77) KMT2APTGDR2ALDH1A1MAPTHPGD
SCHEMBL29115514 0.81 KMT2A (0.58) KMT2AALDH1A1HPGDCTSD
SCHEMBL8318576 0.80 KMT2A (0.62) KMT2AALDH1A1MAPTHPGDCYP3A4
SCHEMBL8892152 0.78 ALDH1A1 (0.44) KMT2AC5PTGDR2ALDH1A1MAPT
SCHEMBL8894347 0.75 KMT2A (0.54) KMT2APTGDR2ALDH1A1MAPTHPGD

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
EP-3947352-A1 COMPLEMENT MODULATORS AND RELATED METHODS RA Pharmaceuticals, Inc. (US) 2022-02-09 EP disclosed