SCHEMBL7654055

SCHEMBL7654055

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
ADH1C P00326 2/20 0.32
ADH1A P07327 2/20 0.32
LIPA P38571 1/20 0.32
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
ADH1B P00325 1/20 0.30
ADH4 P08319 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
SCHEMBL7654058 0.84 EPHX1 (0.44) EPHX1SMN1; SMN2KDM4EHTTADH1C
Formic Acid SCHEMBL27989298 0.81 EPHX1 (0.48) EPHX1SMN1; SMN2KDM4EHTTADH1C
Formamide SCHEMBL27969822 0.81 EPHX1 (0.44) EPHX1SMN1; SMN2KDM4EHTTADH1C
SCHEMBL7738664 0.80 EPHX1 (0.48) EPHX1SMN1; SMN2KDM4EHTTLIPA
SCHEMBL7741586 0.80 EPHX1 (0.48) EPHX1SMN1; SMN2KDM4EHTTLIPA
SCHEMBL7739874 0.80 EPHX1 (0.48) EPHX1SMN1; SMN2KDM4EHTTLIPA
SCHEMBL7738636 0.80 EPHX1 (0.48) EPHX1SMN1; SMN2KDM4EHTTLIPA
SCHEMBL93482 0.80 EPHX1 (0.48) EPHX1SMN1; SMN2KDM4EHTTLIPA
SCHEMBL29024443 0.77 EPHX1 (0.37) EPHX1SMN1; SMN2KDM4EHTTLIPA
SCHEMBL6905025 0.77 EPHX1 (0.46) EPHX1SMN1; SMN2KDM4EHTTLIPA

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