SCHEMBL369805

SCHEMBL369805

COC(=O)c1ccc(-c2ccccc2)c(CCCc2ccc(C)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 4/20 0.50
CYP4F2 P78329 3/20 0.49
EGFR P00533 1/20 0.48
PTGS2 P35354 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
FAAH O00519 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
RARB P10826 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
SCHEMBL365325 0.88 RARB (0.53) FFAR1FFAR4MEN1KMT2ANPC1
SCHEMBL370976 0.85 EGFR (0.50) CYP4A11CYP4F2EGFRPTGS2TDP1
SCHEMBL4664597 0.79 EGFR (0.60) CYP4A11CYP4F2EGFRPTGS2MEN1
SCHEMBL35683 0.76 RARB (0.58) CYP4A11CYP4F2EGFRPTGS2FAAH
SCHEMBL27621631 0.76 EGFR (0.56) EGFRPTGS2MEN1KMT2ANPC1
SCHEMBL371299 0.75 FFAR1 (0.41) TDP1FFAR1FFAR4
SCHEMBL6261633 0.74 CYP4A11 (0.60) CYP4A11CYP4F2NPC1RAB9AALDH1A1
SCHEMBL16010982 0.74 CYP4A11 (0.53) CYP4A11CYP4F2FAAHMEN1KMT2A
SCHEMBL3748237 0.73 EGFR (0.63) EGFRPTGS2TDP1MEN1KMT2A
SCHEMBL10458005 0.73 PTGS2 (0.76) EGFRPTGS2MEN1KMT2ARAB9A

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