SCHEMBL9754486

SCHEMBL9754486

C=CCc1c(O)ccc(C(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.43
GABRB2 P47870 6/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
ALDH2 P05091 1/20 0.43
AKR1B1 P15121 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
CA2 P00918 1/20 0.42
SRD5A1 P18405 1/20 0.41
XDH P47989 1/20 0.40
TNKS O95271 1/20 0.40

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
SCHEMBL9201480 0.84 GABRA1 (0.44) GABRA1GABRB2ALDH1A1MAPTMEN1
SCHEMBL17818498 0.84 SRD5A1 (0.41) GABRA1GABRB2ALDH1A1MAPTMEN1
SCHEMBL11495679 0.84 GABRA1 (0.42) GABRA1GABRB2ALDH1A1MAPTMEN1
SCHEMBL11114926 0.81 CA2 (0.42) GABRA1GABRB2ALDH1A1MAPTMEN1
SCHEMBL9540483 0.81 CA2 (0.45) GABRA1GABRB2ALDH1A1MAPTMEN1
SCHEMBL31017014 0.80 ALDH1A1 (0.48) GABRA1GABRB2ALDH1A1MAPTMEN1
SCHEMBL7094975 0.80 ALDH1A1 (0.48) GABRA1GABRB2ALDH1A1MAPTMEN1
SCHEMBL1413853 0.80 SRD5A1 (0.49) GABRA1GABRB2ALDH1A1MAPTMEN1
SCHEMBL4370066 0.79 SRD5A1 (0.42) GABRA1GABRB2ALDH1A1MAPTMEN1
SCHEMBL323547 0.77 XDH (0.54) GABRA1GABRB2ALDH1A1MAPTMEN1

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
JP-3056432-A None JP disclosed
JP-H0356432-A PRODUCTION OF 2-ALKYLRESORCINOL SUMITOMO CHEM CO LTD 1991-03-12 JP disclosed