SCHEMBL9537062

SCHEMBL9537062

COC(=O)OC1CCCN1C(=O)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.46
SIGMAR1 Q99720 2/20 0.44
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
P2RX7 Q99572 8/20 0.42
EPHX2 P34913 2/20 0.42

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
SCHEMBL9538321 0.86 SIGMAR1 (0.49) ALDH1A1KMT2ASIGMAR1
SCHEMBL9536801 0.85 POLB (0.39)
SCHEMBL9727271 0.83 ALDH1A1 (0.61) ALDH1A1KMT2ASIGMAR1P2RX7
SCHEMBL9538045 0.80 DRD1 (0.48) ALDH1A1KMT2ASIGMAR1
SCHEMBL9534996 0.79 OPRK1 (0.40)
SCHEMBL9535279 0.79 PLA2G1B (0.36) ALDH1A1
SCHEMBL9538607 0.77 ALDH1A1 (0.52) ALDH1A1KMT2ASIGMAR1ERCC1ERCC4
SCHEMBL8317694 0.77 KMT2A (0.43) ALDH1A1KMT2ASIGMAR1ERCC1ERCC4
SCHEMBL8317467 0.77 ALDH1A1 (0.46) ALDH1A1KMT2ASIGMAR1ERCC1ERCC4
SCHEMBL9535638 0.76 TACR1 (0.39) KMT2A

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
EP-0355599-B1 3-ARYL-PYRROLIDINE-2,4-DIONES BAYER AG (DE) 1993-05-19 EP disclosed
EP-0355599-A1 3-Aryl-pyrrolidine-2,4-diones BAYER AG (DE) 1990-02-28 EP disclosed