SCHEMBL9009922

SCHEMBL9009922

C=Cc1cccc(CC)c1CC.C=Cc1ccccc1CC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
ALDH1A1 P00352 1/20 0.36
TAAR1 Q96RJ0 2/20 0.33
HTR1A P08908 1/20 0.33
CCR3 P51677 1/20 0.33
MAOA P21397 1/20 0.33
MGLL Q99685 1/20 0.32
KCNH2 Q12809 1/20 0.31
SCN5A Q14524 1/20 0.31
DHFR P00374 1/20 0.31
CYP24A1 Q07973 1/20 0.31

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
SCHEMBL59712 0.94 GABRA1 (0.41) GABRA1GABRB2ALDH1A1TAAR1HTR1A
SCHEMBL29407303 0.94 GABRA1 (0.41) GABRA1GABRB2ALDH1A1TAAR1HTR1A
Methylamine SCHEMBL28448210 0.92 GABRA1 (0.40) GABRA1GABRB2ALDH1A1TAAR1HTR1A
Methylamine SCHEMBL1256495 0.88 ALDH1A1 (0.41) GABRA1GABRB2ALDH1A1CCR3MAOA
SCHEMBL29749448 0.88 ALDH1A1 (0.44) GABRA1GABRB2ALDH1A1CCR3MAOA
SCHEMBL14959 0.88 ALDH1A1 (0.44) GABRA1GABRB2ALDH1A1CCR3MAOA
SCHEMBL6849255 0.86 ALDH1A1 (0.43) GABRA1GABRB2ALDH1A1CCR3MAOA
SCHEMBL9576114 0.86 ALDH1A1 (0.43) GABRA1GABRB2ALDH1A1CCR3MAOA
SCHEMBL28802097 0.86 ALDH1A1 (0.43) GABRA1GABRB2ALDH1A1CCR3MAOA
Water SCHEMBL28085262 0.86 ALDH1A1 (0.43) GABRA1GABRB2ALDH1A1CCR3MAOA

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
EP-0537485-B1 New thermal dye transfer receptors MINNESOTA MINING & MFG (US) 1996-11-13 EP disclosed
EP-0537485-A1 New thermal dye transfer receptors MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-04-21 EP disclosed