SCHEMBL9836667

SCHEMBL9836667

C=Cc1c(C)cc(C(C)(C)C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
HTR1D P28221 5/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
HTR1B P28222 3/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
RXRB P28702 1/20 0.32
HTR1A P08908 2/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 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
SCHEMBL29002020 0.80 POLB (0.35) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL31697683 0.78 GABRA1 (0.37) POLBHTR1DGABRA1GABRB2TSHR
SCHEMBL21350003 0.76 GABRA1 (0.36) POLBHTR1DGABRA1GABRB2
SCHEMBL11356059 0.76 RAPGEF4 (0.39) TSHRALDH1A1HPGDKMT2ALMNA
SCHEMBL106587 0.76 RAPGEF4 (0.39) TSHRALDH1A1HPGDKMT2ALMNA
SCHEMBL1535610 0.75 POLB (0.46) POLBHTR1DGABRA1GABRB2HTR1B
Methane SCHEMBL14658320 0.74 RAPGEF4 (0.38) TSHRALDH1A1HPGDKMT2ALMNA
Hydrogen Sulfide SCHEMBL29194420 0.74 RAPGEF4 (0.38) TSHRALDH1A1HPGDKMT2ALMNA
SCHEMBL24336854 0.73 GABRA1 (0.33) POLBGABRA1GABRB2
SCHEMBL13631871 0.72 HDAC8 (0.32) TP53TDP1

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-4990386-A Terpolymer of aromatic vinyl monomer, cyclohexylmaleimide, and acrylic compound SHOWA DENKO KABUSHIKI KAISHI (JP) 1991-02-05 US claimed
US-4990386-A Terpolymer of aromatic vinyl monomer, cyclohexylmaleimide, and acrylic compound SHOWA DENKO KABUSHIKI KAISHI (JP) 1991-02-05 US disclosed