SCHEMBL13618742

SCHEMBL13618742

C[C@H]1C=CC=C(OC(=O)C23CC4(c5ccccc5)CC(c5ccccc5)(C2)CC(c2ccccc2)(C3)C4)C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD11B1 P28845 1/20 0.32
CCR2 P41597 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1107787 0.75 HSD11B1 (0.40) LMNAMEN1KMT2AALDH1A1HSD11B1
SCHEMBL1107786 0.70 MEN1 (0.41) LMNAMEN1KMT2AALDH1A1HSD11B1
SCHEMBL17468122 0.69 MEN1 (0.57) LMNAMEN1KMT2AALDH1A1HSD11B1
SCHEMBL17772066 0.66 HSD11B1 (0.36) LMNAMEN1KMT2AALDH1A1HSD11B1
SCHEMBL30934615 0.64 OPRM1 (0.42) LMNAMEN1KMT2AALDH1A1HSD11B1
SCHEMBL14651305 0.63 HSD11B1 (0.59) LMNAMEN1KMT2AALDH1A1HSD11B1
SCHEMBL17467926 0.63 AKR1C1 (0.47) LMNAMEN1KMT2AALDH1A1HSD11B1
SCHEMBL19721672 0.62 HCAR2 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL1107814 0.62 MEN1 (0.49) LMNAMEN1KMT2AALDH1A1HSD11B1
SCHEMBL5078650 0.62 MAPT (0.46) LMNAMEN1KMT2AALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2113548-A1 Organic electroluminescence device FUJIFILM Corporation (JP) 2009-11-04 EP disclosed