SCHEMBL8966470

SCHEMBL8966470

COc1ccc(-c2cccc(C=CC(C)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.38
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL8966476 1.00 NR1H4 (0.38) NR1H4LMNAHPGDTSHRERCC5
SCHEMBL8966466 1.00 NR1H4 (0.38) NR1H4LMNAHPGDTSHRERCC5
SCHEMBL9064708 0.89 KCNA3 (0.37) NR1H4LMNAHPGDTSHRMAPT
SCHEMBL9064303 0.89 KCNA3 (0.37) NR1H4LMNAHPGDTSHRMAPT
SCHEMBL9064713 0.89 KCNA3 (0.37) NR1H4LMNAHPGDTSHRMAPT
SCHEMBL8965089 0.89 MAPT (0.42) NR1H4LMNAHPGDTSHRMAPT
SCHEMBL8965149 0.89 KCNA3 (0.37) NR1H4LMNAHPGDTSHRMAPT
SCHEMBL8965240 0.87 GPR119 (0.35) LMNAHPGDTSHRMAPTMAPK1
SCHEMBL8965624 0.86 MAPT (0.39) LMNAHPGDTSHRMAPTMAPK1
SCHEMBL9781097 0.81 ALOX5 (0.48) LMNAHPGDTSHRMAPTMAPK1

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-0696271-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING HYDROXAMIC 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