SCHEMBL8895822

SCHEMBL8895822

CCC[CH]C(=O)OCC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
SLC1A3 P43003 3/20 0.33
SLC1A2 P43004 3/20 0.33
SLC1A1 P43005 3/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL8894448 0.98 LMNA (0.45) LMNASLC1A3SLC1A2SLC1A1CHRM2
SCHEMBL8894211 0.98 LMNA (0.45) LMNASLC1A3SLC1A2SLC1A1CHRM2
SCHEMBL8894856 0.90 LMNA (0.40) LMNACYP1A2
SCHEMBL8896684 0.88 LMNA (0.39) LMNACYP1A2
SCHEMBL8895316 0.88 LMNA (0.42) LMNACYP1A2
SCHEMBL8893475 0.88 LMNA (0.42) LMNACYP1A2
SCHEMBL8893387 0.87 NAAA (0.41) LMNA
SCHEMBL8896770 0.87 NAAA (0.41) LMNA
SCHEMBL8893861 0.87 LMNA (0.41) LMNACYP1A2
SCHEMBL8894486 0.87 NAAA (0.41) LMNA

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