SCHEMBL27749189

SCHEMBL27749189

Cc1cccc(C(C)CC2CO2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
ADRA2A P08913 4/20 0.37
ADRA2B P18089 4/20 0.37
ADRA2C P18825 4/20 0.37
ADRA1A P35348 3/20 0.37
ADRA1B P35368 3/20 0.37
ADRA1D P25100 2/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC6A2 P23975 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2C P28335 3/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL5184434 0.77 DHFR (0.37) ALDH1A1GLATSHRCHRM2CHRM4
SCHEMBL13263920 0.76 ALDH1A1 (0.45) ALDH1A1GLAADRA2AADRA2BADRA2C
SCHEMBL375325 0.72 ADRA2A (0.42) ALDH1A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL18793782 0.72 ADRA2A (0.42) ALDH1A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL13159672 0.72 ADRA2A (0.42) ALDH1A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL9558664 0.72 ADRA2A (0.42) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL52157 0.71 TAAR1 (0.53) ALDH1A1TRPA1CHRM2CHRM4CHRM5
SCHEMBL1053969 0.70 TSHR (0.55) ALDH1A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL17963769 0.69 ADRA2A (0.40) ALDH1A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL30680064 0.69 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1B

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
CN-101343345-B Polyurethane resin, heat solidifying resin composition containing the same and its solidifying article TAIYO INK MFG CO LTD 2011-11-02 CN disclosed
CN-101343345-A Polyurethane resin, heat solidifying resin composition containing the same and its solidifying article TAIYO INK MFG CO LTD (JP) 2009-01-14 CN disclosed