SCHEMBL9539291

SCHEMBL9539291

CCOC(=O)OC1CCCCN1C(=O)Cc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
OPRK1 P41145 4/20 0.39
OPRM1 P35372 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RECQL P46063 1/20 0.39
OPRD1 P41143 1/20 0.39
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
TACR1 P25103 1/20 0.37

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
SCHEMBL9535443 0.94 KMT2A (0.43) KMT2AMEN1ALDH1A1KDM4EOPRK1
SCHEMBL9539327 0.88 OPRK1 (0.42) KMT2AMEN1OPRK1OPRM1SMN1; SMN2
SCHEMBL9535638 0.86 TACR1 (0.39) KMT2AMEN1OPRK1SMN1; SMN2TACR1
SCHEMBL9727534 0.84 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9538257 0.84 KMT2A (0.49) KMT2AMEN1ALDH1A1KDM4EOPRK1
SCHEMBL9536562 0.81 OPRK1 (0.44) KMT2AMEN1ALDH1A1KDM4EOPRK1
SCHEMBL9535087 0.81 FKBP1A (0.39) KMT2AMEN1OPRK1OPRM1SMN1; SMN2
SCHEMBL9536545 0.81 KDM4E (0.38) KMT2AMEN1ALDH1A1KDM4EOPRK1
SCHEMBL9538662 0.80 SMN1; SMN2 (0.41) KMT2AMEN1ALDH1A1OPRK1OPRM1
SCHEMBL9534208 0.80 KMT2A (0.60) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2

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