SCHEMBL8079949

SCHEMBL8079949

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 7/20 1.00
RARB P10826 3/20 0.48
RARG P13631 3/20 0.48
RARA P10276 2/20 0.48
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXRA P19793 4/20 0.47
RXRB P28702 4/20 0.47
PTPN11 Q06124 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
BCL2 P10415 1/20 0.44
EGFR P00533 1/20 0.43
RXRG P48443 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
SCHEMBL8079953 0.85 SRD5A2 (0.74) SRD5A2TSHRMEN1KMT2ABCHE
SCHEMBL8070858 0.80 SRD5A2 (1.00) SRD5A2RARBMEN1KMT2A
SCHEMBL8079904 0.78 SRD5A2 (1.00) SRD5A2RARBMEN1KMT2ARXRA
SCHEMBL8437152 0.77 SRD5A2 (0.62) SRD5A2RARBRARGTSHRMEN1
SCHEMBL8435444 0.76 SRD5A2 (0.61) SRD5A2RARBRARGTSHRMEN1
SCHEMBL8079913 0.76 SRD5A2 (1.00) SRD5A2RARBMEN1KMT2ARXRA
SCHEMBL6539987 0.75 SRD5A2 (0.91) SRD5A2MEN1KMT2ARXRARXRB
SCHEMBL8435714 0.72 SRD5A2 (0.70) SRD5A2RARBTSHRMEN1KMT2A
SCHEMBL25284690 0.72 TSHR (0.68) SRD5A2TSHR
SCHEMBL8437183 0.71 SRD5A2 (0.64) SRD5A2RARBRARAMEN1KMT2A

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