SCHEMBL7312968

SCHEMBL7312968

CC(=O)SCc1[c]c(C(F)(F)F)ccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.32
HDAC3 O15379 3/20 0.30
HDAC4 P56524 3/20 0.30
HDAC1 Q13547 3/20 0.30
HDAC7 Q8WUI4 3/20 0.30
HDAC2 Q92769 3/20 0.30
HDAC10 Q969S8 3/20 0.30
HDAC11 Q96DB2 3/20 0.30
HDAC8 Q9BY41 3/20 0.30
HDAC6 Q9UBN7 3/20 0.30
HDAC9 Q9UKV0 3/20 0.30
HDAC5 Q9UQL6 3/20 0.30
CYP2E1 P05181 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 1/20 0.30
MME P08473 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
SCHEMBL28073670 0.76 CYP2E1 (0.32) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL7306055 0.73 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7768276 0.72 GABRA1 (0.32)
SCHEMBL7307513 0.72 CYP2D6 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7300483 0.71 MAPK8 (0.33) CYP3A4
SCHEMBL9070011 0.69 DRD2 (0.32)
SCHEMBL7307448 0.69 PGR (0.35) HDAC8
SCHEMBL7302686 0.69 KMT2A (0.36)
SCHEMBL27999338 0.69 TAAR1 (0.32)
SCHEMBL7297199 0.68 MME (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634396-B1 Amino acid derivatives and their use as inhibitors of encephalinase BIOPROJET SOC CIV (FR) 1998-10-28 EP claimed
EP-0634396-A1 Amino acid derivatives and their use as inhibitors of encephalinase SOCIETE CIVILE BIOPROJET (FR) 1995-01-18 EP claimed
EP-0634396-B1 Amino acid derivatives and their use as inhibitors of encephalinase BIOPROJET SOC CIV (FR) 1998-10-28 EP disclosed
EP-0634396-A1 Amino acid derivatives and their use as inhibitors of encephalinase SOCIETE CIVILE BIOPROJET (FR) 1995-01-18 EP disclosed