SCHEMBL27520359

SCHEMBL27520359

CCCCCCCCCC(CCCCCCCC)[C]1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
DNM1 Q05193 2/20 0.37
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
OPRM1 P35372 1/20 0.36
NR1I2 O75469 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
FDPS P14324 3/20 0.34
SPHK1 Q9NYA1 1/20 0.34
FFAR1 O14842 1/20 0.34
MAPT P10636 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 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
SCHEMBL1133423 1.00 LMNA (0.38) LMNADNM1TSHRTHRBOPRM1
SCHEMBL27522609 0.98 LMNA (0.37) LMNADNM1TSHRTHRBOPRM1
SCHEMBL29010410 0.90 NR1I2 (0.39) LMNADNM1TSHRTHRBOPRM1
SCHEMBL5498219 0.83 ACE2 (0.36) LMNAOPRM1SPHK1
SCHEMBL4441750 0.81 LMNA (0.52) LMNATSHRSPHK1MAPT
SCHEMBL1702149 0.79 NR1I2 (0.40) LMNADNM1TSHRTHRBOPRM1
SCHEMBL28030710 0.78 OPRM1 (0.38) LMNADNM1TSHRTHRBOPRM1
SCHEMBL1018909 0.74 GPR84 (0.45) LMNAGPR84FDPSSPHK1FFAR1
Heptane SCHEMBL28061144 0.67 TSHR (0.47) LMNADNM1TSHRTHRB
Cyclooctane SCHEMBL8435685 0.64 TSHR (0.73) LMNADNM1TSHRTHRB

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
CN-1225631-A Bioconjugates of manganese or iron complexes of nitrogen-contg. macrocyclic ligands effective as catalysis for dismutating superoxide MONSANTO CO (US) 1999-08-11 CN disclosed