SCHEMBL11070169

SCHEMBL11070169

O=C(O)C=COC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
EPHX1 P07099 2/20 0.35
TP53 P04637 2/20 0.34
MEN1 O00255 1/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NLRP1 Q9C000 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 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
Hydrochloric Acid SCHEMBL27548538 0.98 HTT (0.41) HTTSMN1; SMN2NPC1GAAEPHX1
SCHEMBL7101441 0.81 EPHX1 (0.38) HTTSMN1; SMN2NPC1GAAEPHX1
SCHEMBL7685588 0.81 EPHX1 (0.38) HTTSMN1; SMN2NPC1GAAEPHX1
SCHEMBL10299699 0.77 HCAR2 (0.47) GAAMEN1LMNACYP3A4MAPT
SCHEMBL6959547 0.77 EPHX1 (0.38) HTTSMN1; SMN2NPC1GAAEPHX1
SCHEMBL28766900 0.75 EPHX1 (0.34) HTTSMN1; SMN2NPC1GAAEPHX1
SCHEMBL10974268 0.72
SCHEMBL10974266 0.72
SCHEMBL4156013 0.72 ATM (0.47) HTTSMN1; SMN2NPC1GAAEPHX1
SCHEMBL4158798 0.72 ATM (0.47) HTTSMN1; SMN2NPC1GAAEPHX1

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
US-4448807-A APPLYING A LATEX OF A VINYL ESTER INTERPOLYMER AND A PROTECTIVE COLLOID MONSANTO COMPANY (US) 1984-05-15 US disclosed
US-4397883-A BLEND OF ACID-MODIVIED POLYVINYL ESTER LATEX AND PIGMENT POWDER MONSANTO COMPANY (US) 1983-08-09 US disclosed
US-4394479-A CARBOXYLIC ACID MONOMER MONSANTO COMPANY (US) 1983-07-19 US disclosed
EP-0055559-A2 Vinyl acetate interpolymer latices and electrographic recording material using same MONSANTO COMPANY (US) 1982-07-07 EP disclosed