SCHEMBL9440201

SCHEMBL9440201

CC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1OC(=O)ON1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.82
KMT2A Q03164 4/20 0.73
GAA P10253 3/20 0.61
ALDH1A1 P00352 1/20 0.55
ESR1 P03372 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 2/20 0.50
CHRNA7 P36544 2/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
HTT P42858 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44

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
SCHEMBL1138721 0.93 KMT2A (0.84) TSHRKMT2AGAAALDH1A1ESR1
SCHEMBL9440204 0.91 TSHR (0.82) TSHRKMT2AGAAALDH1A1ESR1
SCHEMBL1138526 0.91 TSHR (0.82) TSHRKMT2AGAAALDH1A1ESR1
SCHEMBL1138480 0.90 TSHR (1.00) TSHRKMT2AGAAALDH1A1ESR1
SCHEMBL4016393 0.90 TSHR (0.71) TSHRKMT2AGAAALDH1A1ESR1
SCHEMBL1138712 0.89 TSHR (0.74) TSHRKMT2AGAAALDH1A1ESR1
SCHEMBL9242258 0.89 TSHR (0.78) TSHRKMT2AGAAALDH1A1ESR1
SCHEMBL7533362 0.87 TSHR (0.75) TSHRKMT2AGAAALDH1A1ESR1
SCHEMBL9745635 0.86 KMT2A (0.78) TSHRKMT2AGAAALDH1A1ESR1
SCHEMBL9744197 0.86 KMT2A (0.82) TSHRKMT2AGAAALDH1A1ESR1

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-0309400-B1 N-acyloxy hindered amine stabilizers CIBA GEIGY AG (CH) 1994-03-02 EP disclosed
EP-0309400-A2 N-acyloxy hindered amine stabilizers CIBA-GEIGY AG (CH) 1989-03-29 EP disclosed