SCHEMBL8965149

SCHEMBL8965149

C[C@@H](/C=C/c1cccc(-c2ccc(Cl)cc2)c1)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.37
NR1H4 Q96RI1 3/20 0.35
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
AOC3 Q16853 2/20 0.34
CNR1 P21554 3/20 0.33
PTGS2 P35354 1/20 0.33
SHMT1 P34896 1/20 0.33
SHMT2 P34897 1/20 0.33
MAPT P10636 2/20 0.32
CYP3A4 P08684 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 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
SCHEMBL9064708 1.00 KCNA3 (0.37) KCNA3NR1H4HDAC2HDAC8AOC3
SCHEMBL9064713 1.00 KCNA3 (0.37) KCNA3NR1H4HDAC2HDAC8AOC3
SCHEMBL9064303 1.00 KCNA3 (0.37) KCNA3NR1H4HDAC2HDAC8AOC3
SCHEMBL8965089 0.90 MAPT (0.42) NR1H4HDAC2HDAC8PTGS2MAPT
SCHEMBL8966476 0.89 NR1H4 (0.38) NR1H4HDAC2HDAC8MAPTCYP3A4
SCHEMBL8966466 0.89 NR1H4 (0.38) NR1H4HDAC2HDAC8MAPTCYP3A4
SCHEMBL8966470 0.89 NR1H4 (0.38) NR1H4HDAC2HDAC8MAPTCYP3A4
SCHEMBL8965240 0.87 GPR119 (0.35) HDAC2HDAC8PTGS2MAPTCYP3A4
SCHEMBL8965624 0.87 MAPT (0.39) PTGS2MAPTCYP3A4MEN1ALDH1A1
SCHEMBL9517996 0.86 ALOX5 (0.48) PTGS2MAPTCYP3A4MEN1ALDH1A1

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-0696271-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING HYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1996-02-14 EP disclosed
EP-0696272-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING N(3-BIPHENYLYL-1(S)-METHYL-2-PROPENYL) ACETOHYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025430-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING HYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-10 WO disclosed
WO-1994025431-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING N(3-BIPHENYLYL-1(S)-METHYL-2-PROPENYL) ACETOHYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-10 WO disclosed