SCHEMBL8070874

SCHEMBL8070874

CC(C)N(C(=O)COc1ccc(-c2c(Cl)cc(C=O)cc2Cl)cc1)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 6/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
PKM P14618 2/20 0.56
TSHR P16473 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
POLB P06746 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL8083052 0.89 MEN1 (0.57) SRD5A2MEN1KMT2APKMTSHR
SCHEMBL8437275 0.84 SRD5A2 (0.74) SRD5A2MEN1KMT2APKMTSHR
SCHEMBL8070499 0.83 SRD5A2 (0.68) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL6539644 0.81 SRD5A2 (0.60) SRD5A2MEN1KMT2APKMTSHR
SCHEMBL8435714 0.79 SRD5A2 (0.70) SRD5A2MEN1KMT2APKMTSHR
SCHEMBL8433669 0.75 SRD5A2 (0.71) SRD5A2MEN1KMT2APKMTSHR
SCHEMBL8084620 0.72 SRD5A2 (1.00) SRD5A2MEN1KMT2APKMTSHR
SCHEMBL8084624 0.72 SRD5A2 (0.75) SRD5A2MEN1KMT2APKMTSHR
SCHEMBL8433302 0.72 SRD5A2 (0.70) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8070861 0.71 SRD5A2 (0.74) SRD5A2MEN1KMT2APKMTSHR

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