SCHEMBL9535560

SCHEMBL9535560

CCOC(=O)OC1CCCCN1C(=O)Cc1c(C)c(C)cc(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
OPRK1 P41145 4/20 0.37
OPRM1 P35372 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 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
SCHEMBL9538119 0.93 TSHR (0.36) TSHRNPSR1OPRK1OPRM1MEN1
SCHEMBL9536216 0.90 ALDH1A1 (0.38) OPRK1OPRM1MEN1KMT2AALDH1A1
SCHEMBL9536573 0.88 MEN1 (0.43) TSHROPRK1OPRM1MEN1KMT2A
SCHEMBL9535123 0.88 TSHR (0.37) TSHRNPSR1OPRK1OPRM1MEN1
SCHEMBL9538662 0.86 SMN1; SMN2 (0.41) OPRK1OPRM1MEN1KMT2AALDH1A1
SCHEMBL9536709 0.86 OPRK1 (0.36) TSHRNPSR1OPRK1OPRM1MEN1
SCHEMBL9538264 0.86 PLA2G1B (0.38) OPRK1OPRM1MEN1KMT2AALDH1A1
SCHEMBL9535087 0.85 FKBP1A (0.39) OPRK1OPRM1MEN1KMT2ASMN1; SMN2
SCHEMBL9539327 0.84 OPRK1 (0.42) TSHROPRK1OPRM1MEN1KMT2A
SCHEMBL9538148 0.83 KMT2A (0.42) TSHROPRK1OPRM1MEN1KMT2A

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 1 patent. 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