SCHEMBL8771852

SCHEMBL8771852

CC(C)[C@H](N)C(=O)N(C(=O)OC(C)(C)C)C(C)COc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
LIPE Q05469 1/20 0.38
SCN9A Q15858 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
FFAR1 O14842 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8772001 0.78 TSHR (0.32) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL8772011 0.74 MTNR1A (0.33) KMT2A
SCHEMBL3649246 0.73 CYP1A2 (0.52) SMN1; SMN2KMT2AALDH1A1MEN1MRGPRX4
SCHEMBL22809581 0.73 CYP1A2 (0.52) SMN1; SMN2KMT2AALDH1A1MEN1MRGPRX4
Hydrochloric Acid SCHEMBL28350721 0.72 CYP1A2 (0.51) SMN1; SMN2KMT2AALDH1A1MEN1MRGPRX4
SCHEMBL8771907 0.71 TSHR (0.37) SMN1; SMN2CYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL28354400 0.71 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AALDH1A1MRGPRX4KDM4E
SCHEMBL8771848 0.70 KDM4E (0.44) SMN1; SMN2KMT2AALDH1A1MRGPRX4KDM4E
SCHEMBL9227270 0.70 ALDH1A1 (0.43) SMN1; SMN2KMT2AALDH1A1MRGPRX4KDM4E
SCHEMBL8772017 0.70 MMP2 (0.46) ALDH1A1MAPT

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-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed