SCHEMBL12635581

SCHEMBL12635581

CCNC(=O)NCc1cccc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.53
▸ NR1H4 Q96RI1 1/20 0.45
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ PPID Q08752 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ NAMPT P43490 2/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ROCK2 O75116 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40

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
SCHEMBL16355830 0.85 SLC7A5 (0.56) SLC7A5NR1H4LOXL2HIF1ACYP4F2
SCHEMBL12634549 0.84 SLC7A5 (0.59) SLC7A5NR1H4LOXL2HIF1ACYP4F2
SCHEMBL12301533 0.81 SLC7A5 (0.65) SLC7A5LOXL2CYP4F2CYP4A11SMN1; SMN2
SCHEMBL31576604 0.81 SLC7A5 (0.61) SLC7A5NR1H4LOXL2HIF1ACYP4F2
SCHEMBL5382573 0.80 SLC7A5 (0.60) SLC7A5LOXL2CYP4F2CYP4A11ALDH1A1
SCHEMBL6625943 0.79 MMP13 (0.51) NR1H4NAMPTMMP13ROCK2SMN1; SMN2
SCHEMBL879574 0.78 LOXL2 (0.56) SLC7A5NR1H4LOXL2HIF1ACYP4F2
SCHEMBL15876029 0.77 SLC7A5 (0.54) SLC7A5NR1H4LOXL2HIF1ACYP4F2
SCHEMBL15876086 0.77 HIF1A (0.58) SLC7A5NR1H4LOXL2HIF1ACYP4F2
SCHEMBL16355834 0.77 SLC7A5 (0.57) SLC7A5NR1H4LOXL2HIF1ACYP4F2

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
WO-2011078370-A1 NOVEL PARABANIC ACID DERIVATIVE AND DRUG HAVING THE SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2011-06-30 — — WO disclosed
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