SCHEMBL8437152

SCHEMBL8437152

CC(C)N(C(=O)COc1ccc(-c2ccc(C(=O)O)cc2)c2ccccc12)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 7/20 0.62
EGFR P00533 1/20 0.47
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CYP2D6 P10635 1/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
PDE7A Q13946 1/20 0.42
PDE7B Q9NP56 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL8435444 0.80 SRD5A2 (0.61) SRD5A2EGFRBCHEACHEMEN1
SCHEMBL8079949 0.77 SRD5A2 (1.00) SRD5A2EGFRBCHEACHEMEN1
SCHEMBL8070858 0.76 SRD5A2 (1.00) SRD5A2MEN1KMT2AMAPK1RARB
SCHEMBL8079904 0.75 SRD5A2 (1.00) SRD5A2EGFRMEN1KMT2ARXRA
SCHEMBL6539987 0.74 SRD5A2 (0.91) SRD5A2MEN1KMT2ARXRARXRB
SCHEMBL8079913 0.72 SRD5A2 (1.00) SRD5A2BCHEACHEMEN1KMT2A
SCHEMBL8084620 0.72 SRD5A2 (1.00) SRD5A2MEN1TSHRKMT2AHCRTR1
SCHEMBL3550156 0.70 RXRA (0.66) EGFRMEN1KMT2ARXRARXRB
SCHEMBL8078523 0.70 SRD5A2 (1.00) SRD5A2MEN1KMT2AHCRTR1HCRTR2
SCHEMBL8435714 0.69 SRD5A2 (0.70) SRD5A2MEN1TSHRKMT2ARXRA

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