SCHEMBL9738726

SCHEMBL9738726

CCC(=O)ON1C(C)(C)CC(C(CC(=O)O)(C(=O)O)C2CC(C)(C)N(OC(=O)CC)C(C)(C)C2)CC1(C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL9784297 0.86 TSHR (0.43) TSHRKMT2ACYP2D6CYP2C19HIF1A
SCHEMBL9737873 0.84 MEN1 (0.32) KMT2A
SCHEMBL7476142 0.82 CYP2D6 (0.33) TSHRCYP2D6CYP2C19HIF1A
SCHEMBL6723835 0.81 CYP2D6 (0.30) TSHRCYP2D6CYP2C19HIF1A
SCHEMBL317177 0.77 GAA (0.33) TSHRCYP2D6CYP2C19HIF1A
SCHEMBL5889385 0.77 TSHR (0.33) TSHRCYP2D6CYP2C19HIF1A
SCHEMBL39576 0.77 CYP2D6 (0.33) TSHRCYP2D6CYP2C19HIF1A
SCHEMBL2217044 0.76 EPHX2 (0.34)
SCHEMBL9736531 0.76 EPHX2 (0.34)
SCHEMBL2187474 0.76 CYP2C19 (0.30) CYP2C19

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-5124378-A Resin containign N-Hydroxyl hindered amine oxidative and light stabilizers CIBA-GEIGY CORPORATION (US) 1992-06-23 US disclosed