SCHEMBL9810463

SCHEMBL9810463

CCCCCCCCOc1ccc(-c2ccc(C3(O)CCC(C(=O)OCCCCCC)CC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSP90AA1 P07900 1/20 0.44
S1PR5 Q9H228 5/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 4/20 0.42
PLA2G4B P0C869 1/20 0.42

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
SCHEMBL9810369 1.00 RARB (0.49) RARBMEN1KMT2AALDH1A1HSP90AA1
SCHEMBL9810627 1.00 RARB (0.49) RARBMEN1KMT2AALDH1A1HSP90AA1
SCHEMBL9810623 1.00 RARB (0.49) RARBMEN1KMT2AALDH1A1HSP90AA1
SCHEMBL9810675 1.00 RARB (0.49) RARBMEN1KMT2AALDH1A1HSP90AA1
SCHEMBL9810331 1.00 RARB (0.49) RARBMEN1KMT2AALDH1A1HSP90AA1
SCHEMBL9810388 1.00 RARB (0.49) RARBMEN1KMT2AALDH1A1HSP90AA1
SCHEMBL9810412 1.00 RARB (0.49) RARBMEN1KMT2AALDH1A1HSP90AA1
SCHEMBL9810439 1.00 RARB (0.49) RARBMEN1KMT2AALDH1A1HSP90AA1
SCHEMBL9810341 1.00 RARB (0.49) RARBMEN1KMT2AALDH1A1HSP90AA1
SCHEMBL9810274 1.00 RARB (0.49) RARBMEN1KMT2AALDH1A1HSP90AA1

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