SCHEMBL9550733

SCHEMBL9550733

COC(=O)C(C)ON1C(C)(C)CC(OC(=O)c2ccccc2C(=O)OC2CC(C)(C)N(OC(C)C(=O)OC)C(C)(C)C2)CC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 3/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 2/20 0.39
ESR1 P03372 1/20 0.39
MEN1 O00255 2/20 0.37
CYP2D6 P10635 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
SCN1A P35498 2/20 0.35
SCN2A Q99250 2/20 0.35
SCN3A Q9NY46 2/20 0.35
PTPRF P10586 1/20 0.34
PTPN2 P17706 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
SCHEMBL9589452 0.82 TSHR (0.57) TSHRKMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL7477597 0.81 TSHR (0.52) TSHRKMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL9400327 0.77 TSHR (0.78) TSHRKMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL1535588 0.76 GAA (0.62) TSHRKMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL9243820 0.76 TSHR (0.48) TSHRKMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL12247788 0.75 NAAA (0.38) TSHRKMT2AALDH1A1LMNAGAA
SCHEMBL9927137 0.74 TSHR (0.70) TSHRKMT2AALDH1A1LMNAGAA
SCHEMBL9745635 0.74 KMT2A (0.78) TSHRKMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL12247789 0.74
SCHEMBL7476559 0.73 TSHR (0.51) TSHRKMT2AALDH1A1CYP3A4CYP2C9

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
US-5258138-A Phenothiazine and a 2,2,6,6-tetraalkyl piperazin-4-yl derivative to prevent addition polymerization of a mixture of acrylic monomers including an hydroxyalkyl acrylic ester; colorless CIBA-GEIGY CORPORATION (US) 1993-11-02 US disclosed