SCHEMBL9344367

SCHEMBL9344367

CC(C)(C)c1ccccc1-c1c(O)c(O)c(C(C)(C)C)c(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN1 P18031 1/20 0.35
ALOX12 P18054 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
TNFRSF1A P19438 1/20 0.33
CA1 P00915 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
IGF1R P08069 1/20 0.32
TRPA1 O75762 1/20 0.32
PTGS1 P23219 2/20 0.32

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
SCHEMBL7188336 0.78 ALDH1A1 (0.42) CA2ALDH1A1TSHRTDP1MEN1
SCHEMBL29523136 0.78 ALDH1A1 (0.42) CA2ALDH1A1TSHRTDP1MEN1
SCHEMBL5665795 0.73 ALDH1A1 (0.61) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL30336100 0.72 CA2 (0.62) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL4201439 0.71 GLRA3 (0.44) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL1194484 0.71 ALDH1A1 (0.55) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL2220776 0.71 CA2 (0.35) CA2ALDH1A1GABRA1GABRB2CA1
SCHEMBL12978583 0.70 GLRA3 (0.42) CA2ALDH1A1TSHRTDP1NPSR1
SCHEMBL545684 0.69 ALDH1A1 (0.52) CA2ALDH1A1TSHRTDP1GABRA1
Phosphine SCHEMBL2238711 0.69 ALDH1A1 (0.52) CA2ALDH1A1TSHRTDP1GABRA1

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
EP-0432782-B1 Process for preparing 4,4'-dihydroxybiphenyl MITSUBISHI PETROCHEMICAL CO (JP) 1994-08-03 EP disclosed
US-5097080-A PROCESS FOR PREPARING 4,4'-DIHYDROXYBIPHENYL MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1992-03-17 US disclosed
EP-0432782-A2 Process for preparing 4,4'-dihydroxybiphenyl MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-06-19 EP disclosed