SCHEMBL8894616

SCHEMBL8894616

[CH2]CCC(=O)OCCCCC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.50
NAAA Q02083 14/20 0.49
ASAH1 Q13510 1/20 0.49
FKBP1A P62942 1/20 0.43

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
SCHEMBL8894244 1.00 EPHX1 (0.55) EPHX1SMN1; SMN2NAAAASAH1FKBP1A
SCHEMBL8896270 0.93 SMN1; SMN2 (0.52) EPHX1SMN1; SMN2NAAAASAH1FKBP1A
SCHEMBL8896456 0.90 EPHX1 (0.51) EPHX1SMN1; SMN2NAAAASAH1FKBP1A
SCHEMBL8896174 0.89 EPHX1 (0.51) EPHX1SMN1; SMN2NAAAASAH1
SCHEMBL8895255 0.89 EPHX1 (0.51) EPHX1SMN1; SMN2NAAAASAH1
SCHEMBL8896004 0.89 EPHX1 (0.51) EPHX1SMN1; SMN2NAAAASAH1
SCHEMBL8894110 0.88 EPHX1 (0.49) EPHX1SMN1; SMN2NAAAASAH1
SCHEMBL8895589 0.87 SMN1; SMN2 (0.54) EPHX1SMN1; SMN2NAAAASAH1FKBP1A
SCHEMBL8894885 0.87 EPHX1 (0.58) EPHX1SMN1; SMN2NAAAASAH1FKBP1A
SCHEMBL8897122 0.86 SMN1; SMN2 (0.52) EPHX1SMN1; SMN2NAAAASAH1FKBP1A

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