SCHEMBL7618364

SCHEMBL7618364

CC(C)CC(N[C]=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
OPRM1 P35372 1/20 0.38
CTSS P25774 3/20 0.38
CTSK P43235 3/20 0.38
CTSL P07711 2/20 0.38
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
CACNA1F O60840 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37

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
SCHEMBL5640387 0.81 LMNA (0.46) ALDH1A1LMNATSHRHSD17B10POLB
SCHEMBL3368388 0.78 AOC3 (0.42) ALDH1A1LMNATSHRHSD17B10HRH1
SCHEMBL4574134 0.77 RIPK1 (0.46) MAPK1
SCHEMBL16935664 0.77 TAAR1 (0.46) MAPK1HRH1SLC6A3TAAR1
SCHEMBL28866374 0.77 SMN1; SMN2 (0.36) ALDH1A1LMNACYP3A4ALOX15TSHR
SCHEMBL13996016 0.76 ALDH1A1 (0.54) ALDH1A1LMNACYP3A4ALOX15TSHR
SCHEMBL19368275 0.76 ALDH1A1 (0.54) ALDH1A1LMNACYP3A4ALOX15TSHR
SCHEMBL3449545 0.76 HTT (0.51) ALDH1A1CYP3A4
SCHEMBL8701351 0.75 POLB (0.45) ALDH1A1MMEPOLB
SCHEMBL24191865 0.75 ALDH1A1 (0.53) ALDH1A1LMNACYP3A4ALOX15TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826681-B1 EPOXYSUCCINIC ACID DERIVATIVES NIPPON CHEMIPHAR CO (JP) 2002-10-09 EP disclosed
US-5843992-A Epoxysuccinic acid derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1998-12-01 US disclosed
EP-0826681-A1 EPOXYSUCCINIC ACID DERIVATIVES NIPPON CHEMIPHAR CO., LTD. (JP) 1998-03-04 EP disclosed