SCHEMBL18264902

SCHEMBL18264902

CNC(=O)C(C)(C)CCCOc1cc(C)ccc1C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.73
▸ TSHR P16473 3/20 0.73
▸ CYP2C9 P11712 2/20 0.73
▸ CYP2C8 P10632 2/20 0.73
▸ SMN1; SMN2 Q16637 2/20 0.73
▸ TTR P02766 1/20 0.73
▸ CYP1A2 P05177 1/20 0.73
▸ CHRM1 P11229 1/20 0.73
▸ ADRA1A P35348 1/20 0.73
▸ PPARG P37231 1/20 0.73
▸ HTR2B P41595 1/20 0.73
▸ SLCO1B3 Q9NPD5 1/20 0.73
▸ TDP1 Q9NUW8 1/20 0.73
▸ CISD1 Q9NZ45 1/20 0.73
▸ SLCO1B1 Q9Y6L6 1/20 0.73
▸ NR1H4 Q96RI1 1/20 0.65
▸ HPGD P15428 1/20 0.49
▸ HTT P42858 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.47

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
SCHEMBL18264581 0.88 PPARA (0.72) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL21391385 0.86 PPARA (0.69) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL8912551 0.85 PPARA (0.75) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL21413777 0.85 NR1H4 (0.72) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL10473599 0.85 PPARA (0.67) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
Gemfibrozil SCHEMBL4813 0.85 PPARA (1.00) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
Gemfibrozil SCHEMBL20770039 0.85 PPARA (1.00) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL9481043 0.85 PPARA (0.79) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
Gemfibrozil SCHEMBL29398115 0.85 PPARA (1.00) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL12690944 0.85 PPARA (0.79) PPARATSHRCYP2C9CYP2C8SMN1; SMN2

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-9505732-B2 Auto magnetic metal salen complex compound IHI CORPORATION (JP) 2016-11-29 — — US disclosed
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