SCHEMBL4992804

SCHEMBL4992804

C=C(C)C(=O)OCc1ccc(O)c(-n2nc3ccc(C(C)(C)C)cc3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
NR2F2 P24468 1/20 0.32
PLG P00747 2/20 0.32
KLK1 P06870 2/20 0.32
KLK6 Q92876 2/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
KLKB1 P03952 1/20 0.32
MAPT P10636 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
NLRP3 Q96P20 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL29382100 0.90 LMNA (0.34) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL692260 0.90 LMNA (0.34) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL4442083 0.86 NPC1 (0.34) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL29384029 0.86 NPC1 (0.49) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL109007 0.86 NPC1 (0.49) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL20494449 0.83 NPC1 (0.34) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL5064193 0.83 KDM4E (0.40) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL3510761 0.81 LMNA (0.36) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL24089248 0.80 NPC1 (0.33) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL4438709 0.80 NPC1 (0.37) NPC1RAB9ALMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9777162-B2 Waterborne curable resin composition NIPPON SHOKUBAI CO., LTD. (JP) 2017-10-03 US disclosed
US-20140221568-A1 MOLDING MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 2014-08-07 US disclosed
EP-2735588-A1 MOLDING MATERIAL Nippon Shokubai Co., Ltd. (JP) 2014-05-28 EP disclosed
US-20080214694-A1 acrylic emulsion; UV-curable monomer; dispersion stability; without use of a film-forming assistant; durability, stain resistance; paint, automobile finishes, films; cycloalkyl acrylic monomer; cyclohexyl methacrylate NIPPON SHOKUBAL CO., LTD (JP) 2008-09-04 US disclosed
WO-2007037559-A9 WATERBORNE CURABLE RESIN COMPOSITION NIPPON CATALYTIC CHEM IND (JP) 2007-05-31 WO disclosed
US-7211622-B2 Aqueous resin composition and its uses NIPPON SHOKUBAI CO., LTD. (JP) 2007-05-01 US disclosed
WO-2007026949-A1 EMULSION TYPE RESIN COMPOSITION NIPPON SHOKUBAI CO., LTD. (JP) 2007-03-08 WO disclosed
US-20040241484-A1 Aqueous resin composition and its uses NIPPON SHOKUBAI CO., LTD. (JP) 2004-12-02 US disclosed