SCHEMBL8433669

SCHEMBL8433669

Cc1cc(C(=O)O)cc(C)c1-c1ccc(OCC(=O)N(C(C)C)C(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 7/20 0.71
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
PKM P14618 1/20 0.59
ALDH1A1 P00352 1/20 0.52
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PLA2G4B P0C869 1/20 0.43
TSHR P16473 1/20 0.42
PSMB5 P28074 1/20 0.42
RARB P10826 1/20 0.41
TTR P02766 1/20 0.41
POLB P06746 1/20 0.41
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40

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
SCHEMBL8437275 0.89 SRD5A2 (0.74) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8433302 0.86 SRD5A2 (0.70) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8070858 0.84 SRD5A2 (1.00) SRD5A2MEN1KMT2APKMNPC1
SCHEMBL8083052 0.84 MEN1 (0.57) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL6539987 0.82 SRD5A2 (0.91) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8435714 0.81 SRD5A2 (0.70) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8084620 0.79 SRD5A2 (1.00) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8070861 0.75 SRD5A2 (0.74) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8070874 0.75 SRD5A2 (0.57) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL8079904 0.74 SRD5A2 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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