SCHEMBL8080185

SCHEMBL8080185

CC(C)N(C(=O)COc1ccc(I)cc1)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.63
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
PKM P14618 1/20 0.57
ALDH1A1 P00352 1/20 0.54
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
PSMB5 P28074 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
SCHEMBL3845636 0.82 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6539987 0.81 SRD5A2 (0.91) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL6539640 0.81 SRD5A2 (0.61) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL6539644 0.80 SRD5A2 (0.60) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8070861 0.78 SRD5A2 (0.74) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8070858 0.78 SRD5A2 (1.00) SRD5A2MEN1KMT2APKMNPC1
SCHEMBL8070499 0.76 SRD5A2 (0.68) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8082813 0.76 SRD5A2 (0.68) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL6839887 0.76 RXRA (0.47) ALDH1A1ACHESMN1; SMN2RAB9A
SCHEMBL8082905 0.74 SRD5A2 (0.72) SRD5A2MEN1KMT2APKMALDH1A1

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