SCHEMBL8894885

SCHEMBL8894885

[CH2]CC(=O)OCCCCC1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.52
NAAA Q02083 14/20 0.51
ASAH1 Q13510 1/20 0.51
FKBP1A P62942 1/20 0.45

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
SCHEMBL8896214 0.98 EPHX1 (0.56) EPHX1SMN1; SMN2NAAAASAH1FKBP1A
SCHEMBL8893833 0.87 SMN1; SMN2 (0.45) EPHX1SMN1; SMN2NAAAASAH1
SCHEMBL8894616 0.87 EPHX1 (0.55) EPHX1SMN1; SMN2NAAAASAH1FKBP1A
SCHEMBL8894244 0.87 EPHX1 (0.55) EPHX1SMN1; SMN2NAAAASAH1FKBP1A
SCHEMBL30997666 0.86 EPHX1 (0.66) EPHX1SMN1; SMN2NAAAASAH1FKBP1A
SCHEMBL8896994 0.85 SMN1; SMN2 (0.43) EPHX1SMN1; SMN2NAAAASAH1
SCHEMBL11480550 0.84 EPHX1 (0.64) EPHX1SMN1; SMN2NAAAASAH1FKBP1A
SCHEMBL8896456 0.83 EPHX1 (0.51) EPHX1SMN1; SMN2NAAAASAH1FKBP1A
SCHEMBL8896004 0.83 EPHX1 (0.51) EPHX1SMN1; SMN2NAAAASAH1
SCHEMBL8895255 0.83 EPHX1 (0.51) EPHX1SMN1; SMN2NAAAASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed