SCHEMBL8744805

SCHEMBL8744805

CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.57
TP53 P04637 1/20 0.55
POLB P06746 2/20 0.52
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
MMP8 P22894 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
EGFR P00533 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47

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
SCHEMBL9594563 1.00 TACR1 (0.57) TACR1TP53POLBALDH1A1GAA
SCHEMBL8744788 0.88 L3MBTL1 (0.57) TACR1L3MBTL1CTSLCTSBCTSS
SCHEMBL8744782 0.88 L3MBTL1 (0.57) TACR1L3MBTL1CTSLCTSBCTSS
SCHEMBL11559927 0.88 TP53 (0.60) TACR1TP53POLBALDH1A1GAA
SCHEMBL8744831 0.88 ALDH1A1 (0.50) TACR1TP53ALDH1A1GAARAB9A
SCHEMBL9594665 0.88 ALDH1A1 (0.50) TACR1TP53ALDH1A1GAARAB9A
SCHEMBL9594200 0.86 ELANE (0.48) TACR1TP53MEN1KMT2A
SCHEMBL8744711 0.86 ELANE (0.48) TACR1TP53MEN1KMT2A
SCHEMBL9487298 0.84 TP53 (0.61) TACR1TP53POLBALDH1A1GAA
SCHEMBL9487303 0.84 TP53 (0.61) TACR1TP53POLBALDH1A1GAA

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-0456063-B1 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1997-01-22 EP disclosed
US-5258527-A Insecticidal, acaricidal and herbicidal 1-H-3-aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1993-11-02 US disclosed
EP-0456063-A2 1-H-3-aryl-pyrrolidin-2,4-dion-derivatives BAYER AG (DE) 1991-11-13 EP disclosed