SCHEMBL4936681

SCHEMBL4936681

CC12CCCCC1C(=O)OC2=O.O=C1OC(=O)C2CCCCC12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
TP53 P04637 3/20 0.31
CYP3A4 P08684 3/20 0.31
MAPK1 P28482 3/20 0.31
LMNA P02545 3/20 0.31
HIF1A Q16665 2/20 0.31
CYP1A2 P05177 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
TSHR P16473 2/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 1/20 0.31
TFPI2 P48307 1/20 0.31
PPP5C P53041 1/20 0.31
PPP2CA P67775 1/20 0.31
PPP1CA P62136 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
SCHEMBL15660 0.91 TP53 (0.35) HTTTP53CYP3A4MAPK1LMNA
SCHEMBL9617806 0.91 TP53 (0.35) HTTTP53CYP3A4MAPK1LMNA
SCHEMBL9617808 0.91 TP53 (0.35) HTTTP53CYP3A4MAPK1LMNA
Hydrochloric Acid SCHEMBL29273337 0.88 HTT (0.34) HTTTP53CYP3A4MAPK1LMNA
Propane SCHEMBL8670036 0.86 TP53 (0.32) HTTTP53CYP3A4MAPK1LMNA
SCHEMBL14341807 0.86 CYP3A4 (0.36) TP53CYP3A4MAPK1LMNAHIF1A
SCHEMBL29292154 0.86 CYP3A4 (0.36) TP53CYP3A4MAPK1LMNAHIF1A
SCHEMBL28141616 0.85 TSHR (0.38) HTTTP53CYP3A4MAPK1LMNA
SCHEMBL11257689 0.80 LMNA (0.40) TP53CYP3A4MAPK1LMNAHIF1A
1,6-Hexanediol SCHEMBL9364138 0.80 CYP4F2 (0.33) HTTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109021501-A Insulating composite material for power transmission and dispatching 陶氏环球技术有限责任公司 2018-12-18 CN disclosed
US-20080021173-A1 Epoxy Resin, Epoxy Resin Composition And Cured Product Thereof NIPPON KAYAKYU KABUSHIKI KAISHA (JP) 2008-01-24 US disclosed
EP-1760101-A1 EPOXY RESIN, EPOXY RESIN COMPOSITION AND CURED PRODUCT THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2007-03-07 EP disclosed