SCHEMBL3722353

SCHEMBL3722353

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
CHRNA7 P36544 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 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
SCHEMBL9370902 0.86 TSHR (0.47) TSHRKMT2AMEN1GAACHRNA7
SCHEMBL7629693 0.86 TSHR (0.56) TSHRKMT2AMEN1GAACHRNA7
SCHEMBL28699769 0.77 GAA (0.50) TSHRKMT2AMEN1GAACHRNA7
SCHEMBL7629696 0.74 TSHR (0.56) TSHRKMT2AMEN1GAACHRNA7
SCHEMBL51072 0.74 TSHR (0.70) TSHRKMT2AMEN1GAACHRNA7
SCHEMBL5031208 0.72 KMT2A (0.49) TSHRKMT2AMEN1GAACHRNA7
SCHEMBL11320172 0.71 KMT2A (0.40) KMT2AMEN1TDP1MAPTMAPK1
SCHEMBL16267516 0.70 KMT2A (0.39) TSHRKMT2AMEN1CHRNA7HTR3E
SCHEMBL4809454 0.69 MEN1 (0.46) TSHRKMT2AMEN1GAACHRNA7
SCHEMBL309536 0.69 MAPT (0.78) KMT2AMEN1GAALMNATDP1

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
EP-2393768-A1 METHOD FOR PRODUCING ALDEHYDES AND KETONES FROM PRIMARY AND SECONDARY ALCOHOLS Evonik Degussa GmbH (DE) 2011-12-14 EP disclosed
WO-2010089213-A1 METHOD FOR PRODUCING ALDEHYDES AND KETONES FROM PRIMARY AND SECONDARY ALCOHOLS EVONIK DEGUSSA GMBH (DE) 2010-08-12 WO disclosed