SCHEMBL10399372

SCHEMBL10399372

C=CCc1c(O)cc(C)c(Cl)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 2/20 0.38
GLA P06280 1/20 0.38
CHRM1 P11229 1/20 0.38
ALOX15 P16050 1/20 0.38
MAOA P21397 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
XDH P47989 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH2 P05091 1/20 0.34

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
SCHEMBL9029019 0.81 GAA (0.39) GAAALDH1A1MAPTKDM4ECYP3A4
SCHEMBL574465 0.79 ALDH1A1 (0.53) GAAALDH1A1MAPTKDM4ECYP3A4
SCHEMBL69778 0.79 MAPT (0.53) GAAALDH1A1MAPTKDM4ECYP3A4
SCHEMBL28027382 0.79 KDM4E (0.38) GAAALDH1A1MAPTKDM4ECYP3A4
SCHEMBL11011970 0.79 ALDH1A1 (0.36) GAAALDH1A1MAPTKDM4EGLA
SCHEMBL11219745 0.78 GAA (0.39) GAAALDH1A1MAPTKDM4ECYP3A4
SCHEMBL11036424 0.76 ALDH1A1 (0.47) GAAALDH1A1MAPTKDM4ECYP3A4
SCHEMBL1153449 0.76 XDH (0.36) GAAALDH1A1MAPTKDM4ECYP3A4
SCHEMBL17374025 0.76 ALDH1A1 (0.50) GAAALDH1A1MAPTKDM4ECYP3A4
SCHEMBL10400276 0.73 ALDH1A1 (0.33) ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59088439-A None JP disclosed
US-4924021-A Cyclic phenol organosilanes and method for their preparation HUELS AKTIENGESELLSCHAFT (DE) 1990-05-08 US disclosed
EP-0132651-A2 Use of cyclic phenol organosilane ester HÜLS AKTIENGESELLSCHAFT (DE) 1985-02-13 EP disclosed
JP-S5988439-A 3-ALLYL-4-HALOGENO-3,5-DIMETHYLPHENOL AND PRODUCTION THEREOF NIPPON OIL & FATS CO LTD 1984-05-22 JP disclosed