SCHEMBL8083145

SCHEMBL8083145

CCc1cc(OCC(=O)N(C(C)C)C(C)C)ccc1-c1ccc(OC(=O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 7/20 0.79
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE1A P54750 2/20 0.41
PDE1B Q01064 2/20 0.41
PDE1C Q14123 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
BCL2L11 O43521 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
BAK1 Q16611 1/20 0.37

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
SCHEMBL8079904 0.88 SRD5A2 (1.00) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8070861 0.83 SRD5A2 (0.74) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8084624 0.81 SRD5A2 (0.75) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8079953 0.81 SRD5A2 (0.74) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8078572 0.78 SRD5A2 (0.77) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8080226 0.75 SRD5A2 (0.74) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8084620 0.71 SRD5A2 (1.00) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8435551 0.71 SRD5A2 (0.70) SRD5A2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8070858 0.70 SRD5A2 (1.00) SRD5A2MEN1KMT2APKMNPC1
SCHEMBL8078523 0.69 SRD5A2 (1.00) SRD5A2MEN1KMT2APKMALDH1A1

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