SCHEMBL4153882

SCHEMBL4153882

C=CC(=O)OC(C)Cc1ccc(O)c(-n2nc3ccc(Cl)cc3n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 6/20 0.33
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 2/20 0.32
MCL1 Q07820 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP1 P03956 2/20 0.31
KCNMA1 Q12791 1/20 0.31
KDM6B O15054 1/20 0.30
KDM4E B2RXH2 3/20 0.30
TDP1 Q9NUW8 3/20 0.30
POLB P06746 2/20 0.30
GAA P10253 2/20 0.30
HPGD P15428 2/20 0.30
RECQL P46063 2/20 0.30

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
SCHEMBL5072344 0.89 NPC1 (0.45) NPC1LMNARAB9AMAPTMEN1
SCHEMBL5135127 0.87 MAPT (0.35) NPC1LMNARAB9AMAPTSMN1; SMN2
SCHEMBL7644009 0.87 NPC1 (0.33) NPC1LMNARAB9AMEN1KMT2A
SCHEMBL21693913 0.85 MAPK14 (0.32) RXFP1MAPTTP53
SCHEMBL22721242 0.84 HMGCR (0.32) MEN1KMT2AKDM4EGAA
SCHEMBL25409485 0.83 NPC1 (0.36) NPC1LMNARAB9AMAPTMEN1
SCHEMBL28260891 0.82 KDM6B (0.38) NPC1LMNARAB9ARXFP1MAPT
SCHEMBL29514848 0.81 APP (0.38) NPC1LMNARAB9ARXFP1MAPT
SCHEMBL4196803 0.81 APP (0.38) NPC1LMNARAB9ARXFP1MAPT
SCHEMBL27623464 0.80 RAB9A (0.42) NPC1LMNARAB9ARXFP1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021020512-A1 DRUG-CONTAINING OPHTHALMIC LENS 興和株式会社 2021-02-04 WO disclosed
US-20090247662-A1 Contact Lens Material MATSUMOTO MASAHIRO 2009-10-01 US disclosed
EP-1178080-B1 Curable resin coating composition NIPPON CATALYTIC CHEM IND (JP) 2007-04-25 EP disclosed
EP-0657751-A2 Soft ocular lens material Menicon Co., Ltd. (JP) 1995-06-14 EP disclosed
EP-0600269-A2 Soft ocular lens material Menicon Co., Ltd. (JP) 1994-06-08 EP disclosed