SCHEMBL10758499

SCHEMBL10758499

COC(=O)C1CC(CCC(=O)OC(C)(C)C)=NO1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 4/20 0.42
▸ MLYCD O95822 10/20 0.40
▸ HTT P42858 1/20 0.40
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL10756958 0.89 MIF (0.36) MIFMLYCDHTTCYP1A2CYP3A4
SCHEMBL10757347 0.89 MIF (0.46) MIFHTT
SCHEMBL20645845 0.80 MIF (0.48) MIFHTTCYP1A2CYP2D6CYP2C19
SCHEMBL20645838 0.76 MIF (0.50) MIFHTTCYP1A2CYP3A4CYP2D6
SCHEMBL8494420 0.76 F10 (0.46) MIFHTT
SCHEMBL20640879 0.75 MIF (0.40) MIFHTTCYP1A2CYP3A4CYP2D6
SCHEMBL20640544 0.73 MIF (0.50) MIFHTTCYP1A2CYP3A4CYP2D6
SCHEMBL27526456 0.70 HTT (0.48) MIFHTTCYP1A2CYP3A4CYP2D6
SCHEMBL8444142 0.68 MIF (0.58) MIFHTTCYP1A2CYP3A4CYP2D6
SCHEMBL25399266 0.68 ALDH1A1 (0.44) MIFMLYCDHTT

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
US-4677114-A REDUCING AMNESIA, TREATMENT OF SENILITY WARNER-LAMBERT COMPANY (US) 1987-06-30 — — US disclosed
US-4677098-A REDUCING AMNESIA AND TREATING SENILITY WARNER-LAMBERT COMPANY (US) 1987-06-30 — — US disclosed
Send feedback