SCHEMBL8070871

SCHEMBL8070871

CC(C)N(C(=O)COc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.64
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 3/20 0.52
POLB P06746 2/20 0.52
KMT2A Q03164 4/20 0.50
PTGS2 P35354 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL9188689 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAMAPTPOLB
SCHEMBL9188865 0.79 PTGS2 (0.61) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL3971667 0.78 PTGS2 (0.77) ALDH1A1MAPTPOLBKMT2APTGS2
SCHEMBL8070861 0.78 SRD5A2 (0.74) SRD5A2ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL22307858 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAMAPTPOLB
SCHEMBL8082813 0.77 SRD5A2 (0.68) SRD5A2ALDH1A1MAPTPOLBKMT2A
SCHEMBL8070499 0.77 SRD5A2 (0.68) SRD5A2ALDH1A1MAPTKMT2AMEN1
SCHEMBL3864570 0.77 PTGS2 (0.59) ALDH1A1SMN1; SMN2LMNAMAPTPOLB
SCHEMBL6602827 0.76 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNAMAPTPOLB
SCHEMBL22307359 0.75 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAMAPTPOLB

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