SCHEMBL8894732

SCHEMBL8894732

CC[CH]C(=O)OCC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
SLC1A3 P43003 3/20 0.35
SLC1A2 P43004 3/20 0.35
SLC1A1 P43005 3/20 0.35
ALDH1A1 P00352 1/20 0.34
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
PARP15 Q460N3 2/20 0.33
PARP10 Q53GL7 2/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NAAA Q02083 1/20 0.33

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
SCHEMBL8896073 0.98 LMNA (0.47) LMNASLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL8893692 0.98 LMNA (0.47) LMNASLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL8895822 0.85 LMNA (0.42) LMNASLC1A3SLC1A2SLC1A1CHRM2
SCHEMBL8894448 0.84 LMNA (0.45) LMNASLC1A3SLC1A2SLC1A1CHRM2
SCHEMBL8894211 0.84 LMNA (0.45) LMNASLC1A3SLC1A2SLC1A1CHRM2
SCHEMBL8894856 0.82 LMNA (0.40) LMNAATMNAAA
SCHEMBL27908127 0.81 EPHX1 (0.37) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL8895316 0.81 LMNA (0.42) LMNAATMNAAA
SCHEMBL8893475 0.81 LMNA (0.42) LMNAATMNAAA
SCHEMBL8896684 0.81 LMNA (0.39) LMNANAAA

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