SCHEMBL9594198

SCHEMBL9594198

CC1CC(OC(=O)C(N)C[C@@H](N)C(=O)OC2CC(C)CC(C)(C)C2)CC(C)(C)C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.59
▸ NR1I2 O75469 1/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ ALDH1A1 P00352 4/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ HTT P42858 1/20 0.32
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 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
Hydrochloric Acid SCHEMBL9594044 0.98 LMNA (0.58) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL9594194 0.94 LMNA (0.57) LMNANR1I2ABCB11ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL9594034 0.93 LMNA (0.56) LMNANR1I2ABCB11ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL9585385 0.85 LMNA (0.54) LMNANR1I2ABCB11ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL9585390 0.85 LMNA (0.51) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL272391 0.82 LMNA (0.59) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL273324 0.82 LMNA (0.59) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL273323 0.82 LMNA (0.59) LMNANR1I2ABCB11ALDH1A1CYP3A4
Ciclactate SCHEMBL2111243 0.81 LMNA (0.62) LMNANR1I2ABCB11ALDH1A1CYP3A4
SCHEMBL17639951 0.80 LMNA (0.54) LMNANR1I2ABCB11ALDH1A1CYP3A4

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-5236946-A Hypercholesterolemia; regulates cholesterol production by inhibiting HMG-COA reductase PANMEDICA S.A. (FR) 1993-08-17 — — US disclosed
US-5134157-A Trimethylcyclohexyl Pyroglutamate, Antilipemic Agents PANMEDICA S.A. (FR) 1992-07-28 — — US disclosed
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