SCHEMBL8079953

SCHEMBL8079953

CCc1cc(-c2ccc(OC(=O)O)cc2)ccc1OCC(=O)N(C(C)C)C(C)C

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 7/20 0.74
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.45
PKM P14618 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
ESR1 P03372 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
FFAR1 O14842 1/20 0.37
PPARD Q03181 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGS2 P35354 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
SCHEMBL8079949 0.85 SRD5A2 (1.00) SRD5A2MEN1KMT2ATSHRBCHE
SCHEMBL8070861 0.83 SRD5A2 (0.74) SRD5A2MEN1KMT2ATSHRPKM
SCHEMBL8083145 0.81 SRD5A2 (0.79) SRD5A2MEN1KMT2ATSHRPKM
SCHEMBL8080226 0.77 SRD5A2 (0.74) SRD5A2MEN1KMT2ATSHRPKM
SCHEMBL8084624 0.71 SRD5A2 (0.75) SRD5A2MEN1KMT2ATSHRPKM
SCHEMBL8070858 0.70 SRD5A2 (1.00) SRD5A2MEN1KMT2APKMNPC1
SCHEMBL8079934 0.70 SRD5A2 (0.78) SRD5A2MEN1KMT2APKMALDH1A1
SCHEMBL29843967 0.69 SRD5A2 (0.54) SRD5A2MEN1KMT2AESR1ALDH1A1
SCHEMBL8079904 0.69 SRD5A2 (1.00) SRD5A2MEN1KMT2APKMNPC1
SCHEMBL8078572 0.69 SRD5A2 (0.77) SRD5A2MEN1KMT2APKMNPC1

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
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