SCHEMBL7629693

SCHEMBL7629693

CC1(C)CC(OC(=O)c2ccccc2)C(C)(C)N1[O]

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 1/20 0.51
MEN1 O00255 1/20 0.44
CHRNA7 P36544 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
MAPT P10636 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
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
SCN1A P35498 1/20 0.39

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
SCHEMBL3722353 0.86 TSHR (0.47) TSHRKMT2AGAAMEN1CHRNA7
SCHEMBL7629696 0.85 TSHR (0.56) TSHRKMT2AGAAMEN1CHRNA7
SCHEMBL51072 0.82 TSHR (0.70) TSHRKMT2AGAAMEN1CHRNA7
SCHEMBL10499953 0.77 TSHR (0.32) TSHRKMT2A
SCHEMBL1433819 0.76 CHRNB2 (0.47) TSHRKMT2AGAACHRNA7MAPT
SCHEMBL9370902 0.74 TSHR (0.47) TSHRKMT2AGAAMEN1CHRNA7
SCHEMBL4797939 0.74 TSHR (0.60) TSHRKMT2AGAAMEN1CHRNA7
SCHEMBL17931227 0.74 TSHR (0.50) TSHRKMT2AGAAMEN1CHRNA7
SCHEMBL7630267 0.74 KMT2A (0.38) TSHRKMT2AGAAMEN1CHRM2
SCHEMBL1138721 0.73 KMT2A (0.84) TSHRKMT2AGAAMEN1CHRNA7

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