SCHEMBL9988361

SCHEMBL9988361

O=C(O)CCC(=O)CC(=O)c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ NPC1 O15118 4/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ HTT P42858 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TSHR P16473 2/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CES2 O00748 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49

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
SCHEMBL2691520 0.86 NR4A2 (0.62) HPGDMEN1KMT2ANPC1KDM4E
SCHEMBL4944399 0.84 MEN1 (0.61) HPGDMEN1KMT2ANPC1KDM4E
SCHEMBL29987428 0.82 MEN1 (0.72) HPGDMEN1KMT2ANPC1KDM4E
SCHEMBL29668521 0.81 HPGD (0.71) HPGDMEN1KMT2ANPC1KDM4E
SCHEMBL28346776 0.81 HPGD (0.71) HPGDMEN1KMT2ANPC1KDM4E
SCHEMBL6563638 0.81 ALDH1A1 (0.74) HPGDMEN1KMT2ANPC1KDM4E
SCHEMBL8846361 0.80 HDAC1 (0.58) HPGDMEN1KMT2ANPC1KDM4E
SCHEMBL30114944 0.77 HPGD (0.65) HPGDMEN1KMT2ANPC1KDM4E
SCHEMBL28972820 0.77 HPGD (0.65) HPGDMEN1KMT2ANPC1KDM4E
SCHEMBL28972819 0.77 HPGD (0.65) HPGDMEN1KMT2ANPC1KDM4E

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
WO-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 — — WO disclosed
WO-2011161645-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 — — WO disclosed
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