SCHEMBL8520736

SCHEMBL8520736

BC(C)(C=O)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 5/20 0.33
ADH1C P00326 4/20 0.33
ADH1B P00325 2/20 0.31
ADH4 P08319 1/20 0.31
EPHX1 P07099 1/20 0.31
SSTR4 P31391 1/20 0.30
CYP1A2 P05177 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
SCHEMBL16525549 0.76
SCHEMBL27901669 0.75 ADH1A (0.36) ADH1AADH1CADH1BADH4EPHX1
SCHEMBL3276795 0.75 ADH1A (0.36) ADH1AADH1CADH1BADH4EPHX1
SCHEMBL3271093 0.72 ADH1A (0.32) ADH1AADH1CADH1B
SCHEMBL1449258 0.71 ADH1A (0.33) ADH1AADH1CADH1BADH4EPHX1
SCHEMBL22640644 0.71 EPHX1 (0.31) EPHX1SSTR4CYP1A2
SCHEMBL19454725 0.71 EPHX1 (0.31) EPHX1SSTR4CYP1A2
SCHEMBL26842044 0.71 EPHX1 (0.31) EPHX1SSTR4CYP1A2
Formic Acid SCHEMBL27989298 0.68 EPHX1 (0.48) ADH1AADH1CADH1BADH4EPHX1
Formamide SCHEMBL27969822 0.68 EPHX1 (0.44) ADH1AADH1CADH1BADH4EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0954558-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR, William C. (US) 1999-11-10 EP disclosed
WO-1998026028-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 1998-06-18 WO disclosed