SCHEMBL8894448

SCHEMBL8894448

CCC[CH]C(=O)OCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
ADORA3 P0DMS8 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL8894211 1.00 LMNA (0.45) LMNASLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL8895822 0.98 LMNA (0.42) LMNASLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL8895316 0.90 LMNA (0.42) LMNACYP1A2
SCHEMBL8893475 0.90 LMNA (0.42) LMNACYP1A2
SCHEMBL8896041 0.89 LMNA (0.41) LMNACYP1A2
SCHEMBL8893861 0.89 LMNA (0.41) LMNACYP1A2
SCHEMBL8894856 0.88 LMNA (0.40) LMNACYP1A2
SCHEMBL8894776 0.87 NAAA (0.42) LMNACYP1A2
SCHEMBL8895332 0.87 NAAA (0.42) LMNACYP1A2
SCHEMBL8895961 0.87 NAAA (0.42) LMNACYP1A2

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