SCHEMBL9810494

SCHEMBL9810494

CCCCCCCCOc1ccc(C2(O)CCC(C(=O)OCCCCC)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HSP90AA1 P07900 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
S1PR5 Q9H228 7/20 0.46
PLA2G4B P0C869 1/20 0.45
S1PR1 P21453 5/20 0.45
S1PR3 Q99500 4/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL9810408 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1HSP90AA1TP53
SCHEMBL9810422 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1HSP90AA1TP53
SCHEMBL9810434 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1HSP90AA1TP53
SCHEMBL9810703 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1HSP90AA1TP53
SCHEMBL9810291 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1HSP90AA1TP53
SCHEMBL9810440 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1HSP90AA1TP53
SCHEMBL9810613 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1HSP90AA1TP53
SCHEMBL9810588 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1HSP90AA1TP53
SCHEMBL9810495 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1HSP90AA1TP53
SCHEMBL9810316 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1HSP90AA1TP53

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
US-5068389-A TERTIARY ALCOHOLS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed