SCHEMBL11753124

SCHEMBL11753124

CC(=O)C=C(C)NC(C)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
PPARG P37231 2/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.31

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
SCHEMBL3066042 0.82 TSHR (0.42) ALOX15PPARGKDM4EGAAMAPT
SCHEMBL379871 0.82 TSHR (0.42) ALOX15PPARGKDM4EGAAMAPT
SCHEMBL16559559 0.78 KDM4E (0.33) ALOX15PPARGKDM4EGAAMAPT
SCHEMBL16559566 0.78 KDM4E (0.31) ALOX15KDM4EGAAMAPTKMT2A
SCHEMBL11756993 0.76 ALOX15 (0.38) ALOX15PPARGMAPT
SCHEMBL16559585 0.75 KDM4E (0.32) ALOX15PPARGKDM4EGAAMAPT
SCHEMBL11754926 0.75 MMP1 (0.45) ALOX15KDM4EGAAKMT2A
SCHEMBL2368285 0.75 MMP1 (0.45) ALOX15KDM4EGAAKMT2A
SCHEMBL16559578 0.74 ALDH1A1 (0.46) ALOX15PPARGMAPTKMT2A
SCHEMBL10811086 0.73 ALDH1A1 (0.41) ALOX15PPARGGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4042646-A BETA-AMINO-ALPHA, BETA-UNSATURATED KETONE, POLYESTERS NIHON YUSHI CO., LTD. (JA) 1977-08-16 US claimed
US-4042646-A BETA-AMINO-ALPHA, BETA-UNSATURATED KETONE, POLYESTERS NIHON YUSHI CO., LTD. (JA) 1977-08-16 US disclosed