SCHEMBL9404584

SCHEMBL9404584

CC(C)(CN=C=O)c1cccc(C(C)(C)CN=C=O)c1O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.45
GABRA1 P14867 3/20 0.36
GABRB2 P47870 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ALOX12 P18054 1/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 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
SCHEMBL5737958 0.79 NR3C1 (0.33) GABRA1GABRB2TSHR
SCHEMBL56491 0.74 CA2 (0.58) CA2GABRA1GABRB2NPSR1ALOX12
SCHEMBL9066235 0.74 ESR1 (0.33) GABRA1GABRB2LMNA
SCHEMBL27552000 0.72 SHBG (0.34) GABRA1GABRB2
SCHEMBL28757440 0.72 CA2 (0.68) CA2GABRA1GABRB2NPSR1ALOX12
SCHEMBL29270064 0.72 TAAR1 (0.47) KMT2AALDH1A1TSHR
SCHEMBL2916950 0.69 CA2 (0.71) CA2GABRA1GABRB2NPSR1ALOX12
SCHEMBL7101555 0.69 CA2 (0.56) CA2GABRA1GABRB2NPSR1ALOX12
SCHEMBL1833403 0.69 CA2 (0.56) CA2GABRA1GABRB2NPSR1ALOX12
SCHEMBL56747 0.68 GABRA1 (0.61) CA2GABRA1GABRB2ALDH1A1TSHR

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
EP-0376466-B1 Solvent-free solid polymer electrolyte and process for its preparation ASS UNIVERSITIES INC (US) 1994-06-22 EP claimed