SCHEMBL19215818

SCHEMBL19215818

CC(C)CC(C(=O)Oc1ccc(N=Nc2ccc(C#N)cc2)cc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 2/20 0.42
▸ PPARA Q07869 2/20 0.42
▸ MGLL Q99685 2/20 0.40
▸ ELANE P08246 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.35
▸ PRSS1 P07477 1/20 0.35

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
SCHEMBL19215817 0.84 ELANE (0.42) PPARDPPARAELANEMAPTALDH1A1
SCHEMBL13750796 0.81 MGLL (0.45) PPARDPPARAMGLLELANEMAPT
SCHEMBL12691162 0.81 MGLL (0.45) PPARDPPARAMGLLELANEMAPT
SCHEMBL17208955 0.79 MGLL (0.46) PPARDPPARAMGLLELANEMAPT
SCHEMBL25522011 0.75 LMNA (0.47) ELANEALDH1A1CYP1A2
SCHEMBL21291493 0.75 ELANE (0.42) ELANEMAPTCYP1A2CYP2D6
SCHEMBL6323128 0.75 ELANE (0.49) PPARDPPARAMGLLELANEMAPT
SCHEMBL25793413 0.75 MAPT (0.47) MAPTMMP2MMP3ALDH1A1CYP1A2
SCHEMBL19441077 0.73 MGLL (0.47) MGLLELANEMAPTMMP2MMP3
SCHEMBL19573301 0.73 ATM (0.50) ELANEMAPTALDH1A1CYP1A2CYP2D6

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-9726798-B2 Optical film, polarizing plate, and method for producing optical film FUJIFILM CORPORATION (JP) 2017-08-08 — — US disclosed
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