SCHEMBL363201

SCHEMBL363201

CC(=O)C(c1ccccc1)(c1ccccc1)c1cc(F)ncc1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 9/20 0.38
FFAR1 O14842 1/20 0.36
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
TSPO P30536 1/20 0.34
HDAC6 Q9UBN7 3/20 0.34
VNN1 O95497 1/20 0.33
LDHA P00338 1/20 0.33
CYP19A1 P11511 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32

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
SCHEMBL365351 0.83 CYP19A1 (0.31) KCNN4FFAR1CYP19A1
SCHEMBL370104 0.83 RAB9A (0.33) FFAR1HDAC6HDAC1HDAC3
SCHEMBL16222433 0.73 KCNN4 (0.46) KCNN4KCNE1KCNQ1HDAC6HDAC1
SCHEMBL13427540 0.72 KCNN4 (0.69) KCNN4KCNE1KCNQ1HDAC6HDAC1
SCHEMBL371335 0.70 RAB9A (0.32)
SCHEMBL13427561 0.70 KCNN4 (0.72) KCNN4KCNE1KCNQ1
SCHEMBL3523419 0.70 KCNN4 (0.58) KCNN4HDAC6HDAC1HDAC3HDAC4
SCHEMBL365204 0.69 FFAR1 (0.31) FFAR1
SCHEMBL363061 0.69 KCNN4 (0.34) KCNN4
SCHEMBL362087 0.69 ALDH1A1 (0.31) KCNN4

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
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed