SCHEMBL7357464

SCHEMBL7357464

COC(=O)c1ccc2c(C=O)c(C(C)=O)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.55
PARP1 P09874 3/20 0.51
RAB9A P51151 1/20 0.50
DYRK1A Q13627 1/20 0.50
ALOX15 P16050 1/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
POLB P06746 1/20 0.47
CSNK2A1 P68400 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
PKM P14618 2/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL7419297 0.82 KIF11 (0.58) KIF11PARP1RAB9ADYRK1AALOX15
SCHEMBL7368864 0.81 KIF11 (0.61) KIF11PARP1RAB9ADYRK1AALOX15
SCHEMBL25207025 0.78 ALOX15 (0.57) RAB9AALOX15ALDH1A1KDM4EHSD17B10
SCHEMBL29708168 0.77 KIF11 (0.84) KIF11PARP1RAB9ADYRK1AALDH1A1
SCHEMBL4725998 0.77 KIF11 (0.84) KIF11PARP1RAB9ADYRK1AALDH1A1
SCHEMBL22346720 0.77 ALOX15 (0.53) KIF11ALOX15ALDH1A1KDM4EHSD17B10
SCHEMBL4877545 0.77 KDM4E (0.67) RAB9AALOX15ALDH1A1KDM4EHSD17B10
SCHEMBL29955715 0.77 ALOX15 (0.74) ALOX15ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL7419884 0.76 KIF11 (0.58) KIF11PARP1RAB9ADYRK1AALDH1A1
SCHEMBL19954219 0.76 KIF11 (0.49) KIF11PARP1RAB9ADYRK1AALOX15

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-1192132-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
WO-2000076971-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed