SCHEMBL9233700

SCHEMBL9233700

CCC(=O)C(C)(C)C(O)c1ccc(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.45
▸ CES1 P23141 3/20 0.45
▸ RIPK1 Q13546 3/20 0.39
▸ PDE2A O00408 2/20 0.38
▸ PKM P14618 2/20 0.38
▸ OPRM1 P35372 1/20 0.35
▸ MC4R P32245 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL9237431 0.83 CES2 (0.49) CES2CES1RIPK1PDE2APKM
SCHEMBL9234505 0.82 CES2 (0.43) CES2CES1RIPK1POLB
SCHEMBL13545183 0.74 CES2 (0.58) CES2CES1RIPK1PDE2APKM
SCHEMBL13543231 0.71 CES2 (0.58) CES2CES1RIPK1PDE2APKM
SCHEMBL1272994 0.71 CES2 (0.49) CES2CES1PDE2AMC4RCYP3A4
SCHEMBL23149863 0.70 CES2 (0.47) CES2CES1PDE2AMC4RCYP3A4
SCHEMBL22878027 0.69 PDE2A (0.46) CES2CES1RIPK1PDE2AMC4R
SCHEMBL8229151 0.69 CES2 (0.55) CES2CES1PKMPOLB
SCHEMBL9238566 0.69 CES2 (0.50) CES2CES1RIPK1PKM
SCHEMBL2915473 0.68 CES2 (0.64) CES2CES1PDE2APKMCYP3A4

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
EP-0670315-A1 Triazole oxime derivatives having antimycotic acitivity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-09-06 — — EP disclosed
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