SCHEMBL3147765

SCHEMBL3147765

CC(C)(C)OC(=O)CCNCc1ccc(N/C(=C2\C(=O)Nc3cc(C(=O)O)ccc32)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.36
BACE1 P56817 2/20 0.35
S1PR1 P21453 3/20 0.33
PTPRC P08575 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
KIT P10721 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
CTNNB1 P35222 1/20 0.33
TCF7L2 Q9NQB0 1/20 0.33
HDAC1 Q13547 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CSNK2A1 P68400 1/20 0.33

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
SCHEMBL3160809 0.94 OPRM1 (0.36) LTA4HBACE1S1PR1PTPRCCTNNB1
SCHEMBL2572833 0.94 HIF1A (0.38) BACE1NPC1POLBRAB9AKMT2A
SCHEMBL4493463 0.92 FPR2 (0.34) S1PR1MEN1POLBKMT2ACTNNB1
SCHEMBL3159980 0.91 MAPT (0.43) MEN1NPC1RAB9AKMT2AMAPT
SCHEMBL4486527 0.91 SLC2A1 (0.34) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL4498038 0.91 BACE1 (0.38) BACE1S1PR1NPC1POLBRAB9A
SCHEMBL4482769 0.89 KDR (0.35) KDRPDCD1CD274NAMPT
SCHEMBL3143368 0.84 BACE1 (0.40) LTA4HBACE1NPC1RAB9AKMT2A
SCHEMBL3143382 0.84 BACE1 (0.40) LTA4HBACE1NPC1RAB9AKMT2A
SCHEMBL4484691 0.83 FPR3 (0.36) S1PR1PTPRCCTNNB1TCF7L2MAPT

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-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed