SCHEMBL8079980

SCHEMBL8079980

CC(C(=O)N(C(C)C)C(C)C)c1ccc(-c2ccc(C=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.47
GRIA4 P48058 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
PTGS2 P35354 4/20 0.42
DRD1 P21728 1/20 0.37
ALDH1A3 P47895 1/20 0.36

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
SCHEMBL8434370 0.79 SRD5A2 (0.54) GRIA4PTGS2
SCHEMBL28005018 0.77 TYR (0.50) TYRGRIA4AKR1C3AKR1C2ALDH1A3
SCHEMBL1140292 0.75 TYR (0.57) TYRGRIA4AKR1C3AKR1C2PTGS2
SCHEMBL14127824 0.73 KCNA5 (0.50) PTGS2
SCHEMBL693837 0.73 TYR (0.59) TYRAKR1C3AKR1C2PTGS2
SCHEMBL11704768 0.73 TYR (0.59) TYRAKR1C3AKR1C2PTGS2
SCHEMBL29954993 0.73 TYR (0.59) TYRAKR1C3AKR1C2PTGS2
SCHEMBL8084456 0.73 MMP1 (0.42) TYRGRIA4MMP1MMP2MMP3
SCHEMBL3457617 0.73 TYR (0.86) TYRGRIA4AKR1C3AKR1C2MMP1
SCHEMBL8070499 0.71 SRD5A2 (0.68) DRD1ALDH1A3

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 4 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
US-5827887-A 5-ALPHA REDUCTASE INHIBITORS ROUSSEL UCLAF (FR) 1998-10-27 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