SCHEMBL8894774

SCHEMBL8894774

[CH2]C(=O)OCCC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36
NAAA Q02083 5/20 0.36
ASAH1 Q13510 1/20 0.35
NFE2L2 Q16236 1/20 0.34
FKBP1A P62942 2/20 0.34

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
SCHEMBL8896242 0.98 EPHX1 (0.45) EPHX1SMN1; SMN2HPGDLMNANAAA
SCHEMBL8893233 0.83 EPHX1 (0.59) EPHX1SMN1; SMN2NAAAASAH1FKBP1A
SCHEMBL8395658 0.80 EPHX1 (0.43) EPHX1SMN1; SMN2HPGDLMNANAAA
SCHEMBL8395653 0.80 EPHX1 (0.43) EPHX1SMN1; SMN2HPGDLMNANAAA
SCHEMBL696981 0.79 EPHX1 (0.40) EPHX1SMN1; SMN2HPGDLMNANAAA
SCHEMBL8896994 0.79 SMN1; SMN2 (0.43) EPHX1SMN1; SMN2HPGDLMNANAAA
SCHEMBL8391420 0.78 EPHX1 (0.46) EPHX1SMN1; SMN2HPGDLMNANAAA
SCHEMBL8391120 0.78 EPHX1 (0.46) EPHX1SMN1; SMN2HPGDLMNANAAA
SCHEMBL8391122 0.78 EPHX1 (0.46) EPHX1SMN1; SMN2HPGDLMNANAAA
SCHEMBL8393778 0.78 EPHX1 (0.42) EPHX1SMN1; SMN2HPGDLMNANAAA

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