SCHEMBL8083052

SCHEMBL8083052

Cc1cc(C=O)cc(C)c1-c1ccc(OCC(=O)N(C(C)C)C(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
PKM P14618 1/20 0.57
SRD5A2 P31213 6/20 0.55
ALDH1A1 P00352 2/20 0.51
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
TSHR P16473 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
PSMB5 P28074 1/20 0.39
PTPN1 P18031 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL8070874 0.89 SRD5A2 (0.57) MEN1KMT2APKMSRD5A2ALDH1A1
SCHEMBL8070499 0.84 SRD5A2 (0.68) MEN1KMT2APKMSRD5A2ALDH1A1
SCHEMBL8433669 0.84 SRD5A2 (0.71) MEN1KMT2APKMSRD5A2ALDH1A1
SCHEMBL6539644 0.82 SRD5A2 (0.60) MEN1KMT2APKMSRD5A2ALDH1A1
SCHEMBL8437275 0.75 SRD5A2 (0.74) MEN1KMT2APKMSRD5A2ALDH1A1
SCHEMBL8433302 0.72 SRD5A2 (0.70) MEN1KMT2APKMSRD5A2ALDH1A1
SCHEMBL8070861 0.72 SRD5A2 (0.74) MEN1KMT2APKMSRD5A2ALDH1A1
SCHEMBL8070858 0.72 SRD5A2 (1.00) MEN1KMT2APKMSRD5A2NPC1
SCHEMBL8082813 0.70 SRD5A2 (0.68) MEN1KMT2APKMSRD5A2ALDH1A1
SCHEMBL8080185 0.70 SRD5A2 (0.63) MEN1KMT2APKMSRD5A2ALDH1A1

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 3 patents. 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 disclosed
US-5965763-A Biphenyl compounds HOECHST MARION ROUSSEL (FR) 1999-10-12 US disclosed
EP-0757982-A1 Biphenylic compounds, process for their preparations and intermediates for this process, their use as 5-alpha-reductase inhibitors and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1997-02-12 EP disclosed