SCHEMBL6861218

SCHEMBL6861218

CC(C)c1cc(C(C)C)c(CN)cc1CN

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
GABRA1 P14867 4/20 0.31
GABRB1 P18505 3/20 0.31
GABRB2 P47870 1/20 0.31
ALDH1A1 P00352 1/20 0.31
AOC1 P19801 1/20 0.31
AOC3 Q16853 1/20 0.31
GSR P00390 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 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
SCHEMBL22433274 0.77 TAAR1 (0.42) ALDH1A1
SCHEMBL2809249 0.76 HSP90AA1 (0.38) CA1CA2FABP3FABP4FABP5
SCHEMBL3849204 0.75 SLC6A2 (0.50) ALDH1A1
SCHEMBL26137536 0.75 HTR1D (0.40) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL3846424 0.75 SLC6A2 (0.45) ALDH1A1
SCHEMBL3842911 0.75 GAA (0.38) ALDH1A1
SCHEMBL2649083 0.74 GABRA1 (0.44) CA1CA2FABP3FABP4FABP5
SCHEMBL9363718 0.74 HSP90AB1 (0.40) CA1CA2FABP3FABP4FABP5
SCHEMBL21756918 0.73 GABRA1 (0.38) GABRA1GABRB1GABRB2
SCHEMBL3844310 0.73 HTR2B (0.39) CA1CA2GABRA1GABRB1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024177097-A1 HYDROXYL GROUP-CONTAINING POLYAMIDE RESIN COMPOSITION, LAMINATE, PACKAGING MATERIAL, AND GAS BARRIER MATERIAL 東洋紡株式会社 2024-08-29 WO disclosed
EP-1073629-B1 ANION-COMPLEXING COMPOUND, METHOD OF PREPARING THE SAME, AN ION-SELECTIVE MEMBRANE AND A SENSOR PROVIDED WITH SUCH A COMPOUND OR MEMBRANE PRIVA HOLDING B V (NL) 2004-02-25 EP disclosed
US-6468406-B1 Anion-complexing compound, method of preparing the same, an ion-selective membrane and a sensor provided with such a compound or membrane PRIVA HOLDING B.V. (NL) 2002-10-22 US disclosed