SCHEMBL8079904

SCHEMBL8079904

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 7/20 1.00
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
PTPN11 Q06124 1/20 0.47
PLA2G4B P0C869 2/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RARB P10826 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41

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
SCHEMBL8083145 0.88 SRD5A2 (0.79) SRD5A2MEN1PKMKMT2AALDH1A1
SCHEMBL8070858 0.83 SRD5A2 (1.00) SRD5A2MEN1PKMKMT2APLA2G4B
SCHEMBL8435551 0.82 SRD5A2 (0.70) SRD5A2MEN1KMT2APTPN11PLA2G4B
SCHEMBL6539987 0.82 SRD5A2 (0.91) SRD5A2MEN1PKMKMT2APLA2G4B
SCHEMBL8084620 0.81 SRD5A2 (1.00) SRD5A2MEN1PKMKMT2APTPN11
SCHEMBL8078523 0.78 SRD5A2 (1.00) SRD5A2MEN1PKMKMT2AHCRTR1
SCHEMBL8079949 0.78 SRD5A2 (1.00) SRD5A2MEN1KMT2APTPN11RXRA
SCHEMBL2997363 0.78 SRD5A2 (0.63) SRD5A2MEN1KMT2APTPN11HCRTR1
SCHEMBL8437505 0.77 NR4A2 (0.62) SRD5A2MEN1KMT2APLA2G4BHCRTR1
SCHEMBL8435714 0.76 SRD5A2 (0.70) SRD5A2MEN1PKMKMT2APLA2G4B

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
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
US-5965763-A Biphenyl compounds HOECHST MARION ROUSSEL (FR) 1999-10-12 US disclosed