SCHEMBL3703669

SCHEMBL3703669

CC(C)CC(OC(=O)c1cccc(C(=O)O)c1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
KMT2A Q03164 2/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
GAA P10253 2/20 0.40

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
SCHEMBL6228773 0.87 KMT2A (0.44) FOLH1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL25982607 0.86 TSHR (0.50) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL716670 0.84 MAPT (0.47) SMN1; SMN2NPC1MAPTRAB9AHTT
SCHEMBL6227202 0.84 KMT2A (0.46) SMN1; SMN2NPC1MAPTRAB9AHTT
SCHEMBL6229106 0.80 SMN1; SMN2 (0.48) SMN1; SMN2NPC1MAPTRAB9AHTT
SCHEMBL5366525 0.80 RAB9A (0.44) SMN1; SMN2NPC1MAPTRAB9AHTT
SCHEMBL571244 0.79 TSHR (0.53) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL5373336 0.79 MAPT (0.48) SMN1; SMN2NPC1MAPTRAB9AHTT
SCHEMBL30678268 0.79 NPC1 (0.62) SMN1; SMN2NPC1MAPTRAB9AHTT
SCHEMBL6233392 0.79 NPC1 (0.62) SMN1; SMN2NPC1MAPTRAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3392036-B1 METHOD FOR PRODUCING LAMINATE, AND LAMINATE KANEKA CORP (JP) 2022-03-30 EP disclosed
EP-3392036-A1 METHOD FOR PRODUCING LAMINATE, AND LAMINATE Kaneka Corporation (JP) 2018-10-24 EP disclosed
US-9605106-B2 Polyester polyols made of isophthalic acid and/or terephthalic acid and oligoalkyl oxides COVESTRO DEUTSCHLAND AG (DE) 2017-03-28 US disclosed
US-8586784-B2 Method for continuous catalytic hydrogenation EVONIK OXENO GMBH (DE) 2013-11-19 US disclosed
US-20120123009-A1 POLYESTER POLYOLS MADE OF ISOPHTHALIC ACID AND/OR TEREPHTHALIC ACID AND OLIGOALKYL OXIDES BAYER MATERIAL SCIENCE AG (DE) 2012-05-17 US disclosed
US-7435848-B2 Method for preparing alicyclic carboxylic acids and their esters OXENO OLEFINCHEMIE GMBH (DE) 2008-10-14 US disclosed
US-20060167151-A1 Method for preparing alicyclic carboxylic acids and their esters OXENO OLEFINCHEMIE GMBH (DE) 2006-07-27 US disclosed
US-20060161017-A1 Method for continuous catalytic hydrogenation DEGUSSA AG (DE) 2006-07-20 US disclosed
US-4168145-A Branched low molecular weight polyesters levelling agents for dyestuff CASSELLA AKTIENGESELLSCHAFT (DE) 1979-09-18 US disclosed
US-4167395-A Water-soluble branched polyesters CASSELLA AKTIENGESELLSCHAFT (DE) 1979-09-11 US disclosed
US-4150216-A Hair-treating agents from branched, sulfo-group containing copolyesters HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-17 US disclosed