SCHEMBL7430459

SCHEMBL7430459

CN(Cc1ccc(F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.59
TDP1 Q9NUW8 1/20 0.49
NSD2 O96028 1/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KDM1A O60341 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NR1D1 P20393 1/20 0.44
KCNQ4 P56696 1/20 0.44
KCNQ5 Q9NR82 1/20 0.44
GRM2 Q14416 1/20 0.43
KMT2A Q03164 1/20 0.42
MCHR1 Q99705 1/20 0.42
HTR2C P28335 2/20 0.41
SLC6A4 P31645 2/20 0.41
HTR2A P28223 1/20 0.41
LIPE Q05469 1/20 0.41

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
SCHEMBL23448763 0.87 HRH3 (0.44) RIPK1ALDH1A1HDAC6HTR2CSLC6A4
SCHEMBL1935308 0.85 PPARG (0.46) RIPK1ALDH1A1HTR2CSLC6A4
SCHEMBL25546128 0.85 HSP90AA1 (0.43) RIPK1ALDH1A1HTR2CSLC6A4LIPE
SCHEMBL2229917 0.85 MTOR (0.48) RIPK1ALDH1A1HTR2CSLC6A4
SCHEMBL14326997 0.84 TAAR1 (0.50) RIPK1TDP1KDM1AHDAC8HDAC6
SCHEMBL19950236 0.84 CLK1 (0.45) RIPK1GRM2KMT2AHTR2CSLC6A4
SCHEMBL1935742 0.84 AKT1 (0.43) RIPK1ALDH1A1MAPTHTR2CSLC6A4
SCHEMBL8139521 0.84 TPSAB1 (0.47) RIPK1ALDH1A1KMT2AHTR2CSLC6A4
SCHEMBL5726780 0.84 HTR2C (0.41) RIPK1ALDH1A1HTR2CSLC6A4
SCHEMBL30264860 0.84 ALDH1A1 (0.57) RIPK1ALDH1A1LMNANR1D1MCHR1

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-2023078410-A1 COMPOUND HAVING ACTIVITY OF DEGRADING GSPT1 AND APPLICATION THEREOF 上海美志医药科技有限公司 2023-05-11 WO disclosed
EP-0609625-A1 Inhibitors of HIV protease useful for the treatment of AIDS ELI LILLY AND COMPANY (US) 1994-08-10 EP disclosed