SCHEMBL9535087

SCHEMBL9535087

CCOC(=O)OC1CCCCN1C(=O)Cc1c(C)cc(C(C)(C)C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.39
LMNA P02545 1/20 0.37
OPRK1 P41145 2/20 0.36
OPRM1 P35372 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL9536573 0.90 MEN1 (0.43) FKBP1AOPRK1OPRM1MEN1KMT2A
SCHEMBL9538662 0.88 SMN1; SMN2 (0.41) FKBP1AOPRK1OPRM1MEN1KMT2A
SCHEMBL9535404 0.86 MEN1 (0.38) FKBP1AOPRK1OPRM1MEN1KMT2A
SCHEMBL9538119 0.85 TSHR (0.36) FKBP1AOPRK1OPRM1MEN1KMT2A
SCHEMBL9535560 0.85 TSHR (0.38) OPRK1OPRM1MEN1KMT2ASMN1; SMN2
SCHEMBL9727238 0.83 FKBP1A (0.56) FKBP1AMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL9538148 0.83 KMT2A (0.42) OPRK1OPRM1MEN1KMT2ASMN1; SMN2
SCHEMBL9535123 0.83 TSHR (0.37) FKBP1AOPRK1OPRM1MEN1KMT2A
SCHEMBL9536216 0.82 ALDH1A1 (0.38) FKBP1AOPRK1OPRM1MEN1KMT2A
SCHEMBL9539291 0.81 KMT2A (0.44) OPRK1OPRM1MEN1KMT2ASMN1; 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