SCHEMBL7654058

SCHEMBL7654058

CC(C)(C)C1CCCCC1.O=COO

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LIPA P38571 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SSTR4 P31391 1/20 0.32
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
MAPT P10636 1/20 0.30
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 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
SCHEMBL29024443 0.93 EPHX1 (0.37) EPHX1HTTSMN1; SMN2KDM4ELIPA
SCHEMBL28399494 0.89 LIPA (0.41) EPHX1HTTSMN1; SMN2KDM4ELIPA
SCHEMBL7654055 0.84 EPHX1 (0.41) EPHX1HTTSMN1; SMN2KDM4ELIPA
Formic Acid SCHEMBL27989298 0.84 EPHX1 (0.48) EPHX1HTTSMN1; SMN2KDM4ELIPA
Formamide SCHEMBL27969822 0.79 EPHX1 (0.44) EPHX1HTTSMN1; SMN2KDM4ELIPA
Bicarbonate SCHEMBL28626633 0.78 EPHX1 (0.48) EPHX1HTTSMN1; SMN2KDM4ELIPA
Methyl Alcohol SCHEMBL27768087 0.78 EPHX1 (0.50) EPHX1HTTSMN1; SMN2KDM4ELIPA
SCHEMBL93482 0.78 EPHX1 (0.48) EPHX1HTTSMN1; SMN2KDM4ELIPA
SCHEMBL7739874 0.78 EPHX1 (0.48) EPHX1HTTSMN1; SMN2KDM4ELIPA
SCHEMBL7741586 0.78 EPHX1 (0.48) EPHX1HTTSMN1; SMN2KDM4ELIPA

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
US-4618647-A TWO POLYMERIZATION CATALYSTS UNION CARBIDE CORP. (US) 1986-10-21 US claimed
US-6491903-B1 NARROW MOLECULAR WEIGHT DISTRIBUTION SHELL-CORE POLYMERS HAVING HYDROPHILIC, CROSSLINKED PERMEABLE SHELLS AND HYDROPHOBIC CORES, USED FOR REDUCING BLOOD CHOLESTEROL AND BILE ACID UPTAKE IN INTERSTINES; DRUG DELIVERY WASHINGTON UNIVERSITY 2002-12-10 US disclosed
US-6383500-B1 Particles comprising amphiphilic copolymers, having a crosslinked shell domain and an interior core domain, useful for pharmaceutical and other applications WASHINGTON UNIVERSITY 2002-05-07 US disclosed