SCHEMBL8079934

SCHEMBL8079934

CC(C)N(C(=O)COc1c(F)cc(-c2ccc(OC(=O)O)cc2)cc1[N+](=O)[O-])C(C)C

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 8/20 0.78
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGES O14684 1/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 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
SCHEMBL8079931 0.88 SRD5A2 (1.00) SRD5A2MAPTSMN1; SMN2HTTNPSR1
SCHEMBL8079992 0.78 SRD5A2 (0.79) SRD5A2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8080226 0.77 SRD5A2 (0.74) SRD5A2MEN1PKMKMT2AMAPT
SCHEMBL8070861 0.76 SRD5A2 (0.74) SRD5A2MEN1PKMKMT2AMAPT
SCHEMBL6225616 0.73 ALDH1A1 (0.46) SRD5A2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8070871 0.71 SRD5A2 (0.64) SRD5A2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8079953 0.70 SRD5A2 (0.74) SRD5A2MEN1PKMKMT2AFFAR1
SCHEMBL8083145 0.68 SRD5A2 (0.79) SRD5A2MEN1PKMKMT2AMAPT
SCHEMBL8084624 0.66 SRD5A2 (0.75) SRD5A2MEN1PKMKMT2AFFAR1
SCHEMBL8078572 0.65 SRD5A2 (0.77) SRD5A2MEN1PKMKMT2AFFAR4

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-0757982-B1 Biphenylic compounds, process for their preparations and intermediates for this process, their use as 5-alpha-reductase inhibitors and pharmaceutical compositions containing them HOECHST MARION ROUSSEL INC (FR) 2000-09-20 EP claimed