SCHEMBL28699992

SCHEMBL28699992

CC(C)OC(=O)OC1CCC[C@H](C)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
CYP19A1 P11511 1/20 0.33
EPHX1 P07099 3/20 0.33
TSHR P16473 2/20 0.32
GAA P10253 1/20 0.32
MAPK10 P53779 1/20 0.32
SERPINE1 P05121 1/20 0.32
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL19857074 1.00 RAB9A (0.37) RAB9ACYP19A1EPHX1TSHRGAA
SCHEMBL28690325 1.00 RAB9A (0.37) RAB9ACYP19A1EPHX1TSHRGAA
SCHEMBL1081363 0.89 SERPINE1 (0.39) CYP19A1EPHX1TSHRSERPINE1DPP4
SCHEMBL9977695 0.87 RAB9A (0.36) RAB9ACYP19A1EPHX1TSHRGAA
SCHEMBL14990653 0.85 RAB9A (0.42) RAB9ACYP19A1EPHX1TSHRGAA
SCHEMBL14991280 0.85 RAB9A (0.42) RAB9ACYP19A1EPHX1TSHRGAA
SCHEMBL14990651 0.85 RAB9A (0.42) RAB9ACYP19A1EPHX1TSHRGAA
SCHEMBL1077758 0.84 SERPINE1 (0.36) EPHX1TSHRSERPINE1DPP4DPP7
SCHEMBL23187787 0.84 RAB9A (0.34) RAB9ACYP19A1EPHX1TSHRGAA
SCHEMBL3938214 0.83 TSHR (0.39) TSHRSERPINE1DPP4DPP7

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
CN-109071418-B Prodrugs of amino acid derivatives 大正制药株式会社 2022-03-18 CN disclosed