SCHEMBL8185405

SCHEMBL8185405

CCc1cn(Cc2[nH]c(C(=O)O)c(C)c2CC)c(Cc2[nH]c(C(=O)O)c(C)c2CC)c1CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
SLC22A12 Q96S37 1/20 0.31
NPSR1 Q6W5P4 3/20 0.31
MAPT P10636 1/20 0.31
STAT1 P42224 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
PRNP P04156 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
PPARG P37231 1/20 0.30
HIF1A Q16665 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NR2E3 Q9Y5X4 1/20 0.30
NCOR2 Q9Y618 1/20 0.30

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
SCHEMBL9750354 0.89 GAA (0.35) LMNANPSR1MAPTSTAT1RAB9A
SCHEMBL5772424 0.78 LMNA (0.49) LMNANPSR1MAPTSTAT1RAB9A
SCHEMBL13228906 0.69 NPSR1 (0.44) LMNANPSR1MAPTSTAT1RAB9A
SCHEMBL8686608 0.68 LMNA (0.38) LMNANPSR1MEN1GAATSHR
SCHEMBL7668283 0.68 NPSR1 (0.43) LMNANPSR1MAPTSTAT1RAB9A
SCHEMBL9393408 0.67 CYP1A2 (0.46) LMNANPSR1MEN1GAATSHR
SCHEMBL9423133 0.66 TSHR (0.47) LMNANPSR1MAPTSTAT1RAB9A
SCHEMBL18210830 0.66 HSD17B10 (0.58) LMNANPSR1MAPTRAB9AMEN1
SCHEMBL891106 0.65 NPSR1 (0.54) LMNANPSR1MAPTSTAT1RAB9A
SCHEMBL8686610 0.64 NPSR1 (0.38) LMNANPSR1MAPTSTAT1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6022981-A KEY INTERMEDIATES IN SYNTHESIZING 5,10-DISUBSTITUTED PORPHYRIN COMPOUNDS OR OTHER 5,10-DISUBSTITUTED POLYPYRROLIC MACROCYCLES. THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2000-02-08 US disclosed
US-5919923-A REACTING ALDEHYDE OR ACETAL WITH STOICHIOMETRIC EXCESS OF PYRROLE IN PRESENCE OF ACID CATALYST, REMOVING SOLVENT BY EVAPORATION TO FORM RESIDUE, REMOVING HIGH MOLECULAR WEIGHT BY-PRODUCTS TO LEAVE DESIRED TRIPYRRANE BRITISH COLUMBIA, UNIVERSITY OF, THE (CA) 1999-07-06 US disclosed