SCHEMBL10487295

SCHEMBL10487295

CC1C[C@H](NC(=O)C(F)(F)F)C(=O)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
ASGR1 P07306 1/20 0.30

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
SCHEMBL8781359 0.80
SCHEMBL5344420 0.75 KDM4E (0.43) KDM4EALDH1A1HTTNCOA1NCOA3
SCHEMBL5413587 0.75 KDM4E (0.43) KDM4EALDH1A1HTTNCOA1NCOA3
SCHEMBL3825323 0.75 KDM4E (0.43) KDM4EALDH1A1HTTNCOA1NCOA3
SCHEMBL22534064 0.72 KDM4E (0.39) KDM4EALDH1A1HTTNCOA1NCOA3
SCHEMBL6425835 0.72 KDM4E (0.39) KDM4EALDH1A1HTTNCOA1NCOA3
SCHEMBL10487355 0.71 KDM4E (0.35) KDM4EALDH1A1HTTNCOA1NCOA3
SCHEMBL16857570 0.69 ALDH1A1 (0.39) KDM4EALDH1A1HTTNCOA1NCOA3
SCHEMBL16857571 0.69 ALDH1A1 (0.39) KDM4EALDH1A1HTTNCOA1NCOA3
SCHEMBL11038408 0.69 KDM4E (0.36) KDM4EALDH1A1HTTNCOA1NCOA3

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
US-4874878-A CHEMICAL INTERMEDIATES FOR ANTIDEPRESSANTS ADIR ET CIE (FR) 1989-10-17 US disclosed
US-4851429-A ANTIDEPRESSANT, TRANQUILIZERS ADIR ET CIE (FR) 1989-07-25 US disclosed