SCHEMBL9810368

SCHEMBL9810368

CCCCOC(=O)C1CCC(O)(c2ccc(OCCCC)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 3/20 0.44
HRH3 Q9Y5N1 4/20 0.42
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KCNH2 Q12809 2/20 0.42
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
S1PR5 Q9H228 1/20 0.40

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
SCHEMBL9810255 0.97 TSHR (0.48) MEN1KMT2ATSHRHRH3ALDH1A1
SCHEMBL9810338 0.97 MEN1 (0.48) MEN1KMT2ATSHRALDH1A1HSP90AA1
SCHEMBL9810326 0.97 MEN1 (0.48) MEN1KMT2ATSHRALDH1A1HSP90AA1
SCHEMBL9810337 0.97 MEN1 (0.48) MEN1KMT2ATSHRALDH1A1HSP90AA1
SCHEMBL9810495 0.96 MEN1 (0.47) MEN1KMT2ATSHRALDH1A1HSP90AA1
SCHEMBL9810613 0.96 MEN1 (0.47) MEN1KMT2ATSHRALDH1A1HSP90AA1
SCHEMBL9810440 0.96 MEN1 (0.47) MEN1KMT2ATSHRALDH1A1HSP90AA1
SCHEMBL9810494 0.96 MEN1 (0.47) MEN1KMT2ATSHRALDH1A1HSP90AA1
SCHEMBL9810588 0.96 MEN1 (0.47) MEN1KMT2ATSHRALDH1A1HSP90AA1
SCHEMBL9810434 0.96 MEN1 (0.47) MEN1KMT2ATSHRALDH1A1HSP90AA1

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