SCHEMBL9680182

SCHEMBL9680182

CC(C)N1C[C@H](C)OC1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
FKBP1A P62942 1/20 0.34
TSHR P16473 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL9680175 0.81 TSHR (0.33) POLBHRH3ALDH1A1MEN1KMT2A
SCHEMBL11329621 0.78 CHRM2 (0.34) HRH3ALDH1A1HPGDMEN1KMT2A
SCHEMBL9617683 0.78 PTGS2 (0.41) HRH3ALDH1A1MAPK1
SCHEMBL11133602 0.78 PTGS2 (0.41) HRH3ALDH1A1MAPK1
SCHEMBL10554073 0.78 PTGS2 (0.41) HRH3ALDH1A1MAPK1
SCHEMBL6444619 0.73 ALDH1A1 (0.41) POLBALDH1A1HPGDKMT2AKDM4E
SCHEMBL6441137 0.69 SLC18A3 (0.41) POLBALDH1A1HPGDKMT2AKDM4E
SCHEMBL6445634 0.67 SIGMAR1 (0.39) POLBALDH1A1HPGDKDM4EHTT
SCHEMBL14626847 0.67 HRH3 (0.40) POLBHRH3ALDH1A1MEN1KMT2A
SCHEMBL20226916 0.66 PDK1 (0.31)

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-0498705-A1 Phenol ethers derivatives, their preparation and their therapeutical use SYNTHELABO (FR) 1992-08-12 EP disclosed