SCHEMBL18290956

SCHEMBL18290956

O=Nc1ccc(C(=O)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.72
NR4A1 P22736 1/20 0.64
NR4A2 P43354 1/20 0.64
NR4A3 Q92570 1/20 0.64
ALDH1A1 P00352 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
HTT P42858 2/20 0.62
MAOB P27338 1/20 0.60
PARP10 Q53GL7 1/20 0.60
GAA P10253 2/20 0.59
MAPT P10636 2/20 0.59
RAB9A P51151 2/20 0.59
PLA2G4B P0C869 1/20 0.56
PPARG P37231 2/20 0.56
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PTGES O14684 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL13234954 0.89 LMNA (0.60) SRD5A2NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL3232949 0.89 SRD5A2 (0.90) SRD5A2NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL402300 0.87 SRD5A2 (0.87) SRD5A2NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL3415530 0.84 SRD5A2 (0.81) SRD5A2NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL6654887 0.81 SRD5A2 (0.77) SRD5A2NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL8503299 0.81 SRD5A2 (0.77) SRD5A2NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL10784972 0.81 SRD5A2 (0.77) SRD5A2NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL8067849 0.81 SRD5A2 (0.77) SRD5A2NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL19700405 0.80 NR4A1 (0.50) SRD5A2NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL7539817 0.80 SRD5A2 (0.73) SRD5A2NR4A1NR4A2NR4A3ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017212059-A1 SYNTHESIS OF PHOTOACTIVABLE CAGED CYCLOFEN-OH AND DERIVATIVES THEREOF PARIS SCIENCES ET LETTRES - QUARTIER LATIN (FR) 2017-12-14 WO disclosed
WO-2016196342-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-12-08 WO disclosed