SCHEMBL7629696

SCHEMBL7629696

CC1(C)CC(OC(=O)c2ccccc2)C(C)(C)N1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
KMT2A Q03164 3/20 0.52
GAA P10253 2/20 0.51
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CHRNA7 P36544 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 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
SCHEMBL17931090 0.87 SCN1A (0.47) TSHRKMT2AGAAMAPTMEN1
SCHEMBL17931321 0.86 TSHR (0.40) TSHRKMT2AGAAMAPTMEN1
SCHEMBL9370902 0.86 TSHR (0.47) TSHRKMT2AGAAMAPTMEN1
SCHEMBL7629693 0.85 TSHR (0.56) TSHRKMT2AGAAMAPTMEN1
SCHEMBL26811439 0.84 UBE2D3 (0.42) TSHRKMT2AGAAMAPTHTT
SCHEMBL243559 0.82 TSHR (0.70) TSHRKMT2AGAAMAPTMEN1
SCHEMBL26811435 0.81 PTPN2 (0.48) TSHRKMT2AGAAMAPTMEN1
SCHEMBL17931228 0.80 TSHR (0.45) TSHRKMT2AGAAMAPTMEN1
SCHEMBL17931369 0.80 GAA (0.39) TSHRKMT2AGAAMAPTMEN1
SCHEMBL17931399 0.79 TSHR (0.35) TSHRKMT2AGAAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1186588-A1 6-HYDROXY-2-NAPHTHYLCARBINOL AND PROCESS FOR THE PREPARATION THEREOF MITSUBISHI CHEMICAL CORPORATION (JP) 2002-03-13 EP disclosed