SCHEMBL9796283

SCHEMBL9796283

CCCCC(OC(C)=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.43
HRH3 Q9Y5N1 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ACHE P22303 1/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.37
PABPC1 P11940 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
STAT3 P40763 1/20 0.36

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
SCHEMBL5043409 0.95 UTS2R (0.42) UTS2RHRH3SIGMAR1PTGESALOX5
SCHEMBL16673003 0.90 UTS2R (0.45) UTS2RSIGMAR1ALOX5ACHELMNA
SCHEMBL6666615 0.85 PABPC1 (0.50) PPARGPPARAPABPC1APOBEC3AAPOBEC3G
SCHEMBL9795863 0.83 SIGMAR1 (0.39) SIGMAR1PPARGPPARAPABPC1APOBEC3A
SCHEMBL9796059 0.82 PSEN1 (0.42) ALOX5PPARGPPARALMNAKMT2A
SCHEMBL23664923 0.79 ALDH1A1 (0.49) PABPC1APOBEC3AAPOBEC3G
SCHEMBL27477569 0.79 ALDH1A1 (0.49) PABPC1APOBEC3AAPOBEC3G
SCHEMBL9340624 0.79 ALDH1A1 (0.49) PABPC1APOBEC3AAPOBEC3G
SCHEMBL8750434 0.79 HRH3 (0.44) UTS2RHRH3PTGESALOX5PPARG
SCHEMBL5046764 0.79 LTA4H (0.38) SIGMAR1PABPC1APOBEC3AAPOBEC3G

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-5006534-A Substituted ethers, thioethers and amines for use as lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed