SCHEMBL8744786

SCHEMBL8744786

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
PSMB5 P28074 1/20 0.38
NLRP3 Q96P20 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL9595171 1.00 ALDH1A1 (0.42) ALDH1A1LMNATAS1R3TAS1R1PSMB5
SCHEMBL8744759 0.90 KMT2A (0.42) ALDH1A1LMNATAS1R3TAS1R1PSMB5
SCHEMBL9594066 0.90 KMT2A (0.42) ALDH1A1LMNATAS1R3TAS1R1PSMB5
SCHEMBL8744837 0.90 TAS1R3 (0.49) ALDH1A1LMNATAS1R3TAS1R1PSMB5
SCHEMBL9594891 0.90 TAS1R3 (0.49) ALDH1A1LMNATAS1R3TAS1R1PSMB5
SCHEMBL8744770 0.88 PYGL (0.38) ALDH1A1LMNATAS1R3TAS1R1PSMB5
SCHEMBL9596067 0.88 PYGL (0.38) ALDH1A1LMNATAS1R3TAS1R1PSMB5
SCHEMBL9595368 0.85 LMNA (0.41) LMNAPSMB5NLRP3SMN1; SMN2L3MBTL1
SCHEMBL8744813 0.85 LMNA (0.41) LMNAPSMB5NLRP3SMN1; SMN2L3MBTL1
SCHEMBL8744704 0.84 THRA (0.45) PSMB5GFERKMT2ATHRATHRB

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