SCHEMBL8433883

SCHEMBL8433883

CC(C)N(C(=O)c1cc(I)c(-c2ccc(C(=O)O)cc2)c(I)c1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 6/20 0.47
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 2/20 0.44
MCOLN3 Q8TDD5 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
RXRA P19793 5/20 0.41
RXRB P28702 5/20 0.41
RXRG P48443 1/20 0.41
RIPK1 Q13546 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
TTR P02766 1/20 0.39
TPMT P51580 2/20 0.39

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
SCHEMBL8435617 0.87 SRD5A2 (0.46) SRD5A2NPSR1HPGDMCOLN3KDM4E
SCHEMBL8437445 0.86 SRD5A2 (0.47) SRD5A2LMNA
SCHEMBL8437651 0.84 SRD5A2 (0.46) SRD5A2NPSR1HPGDMCOLN3KDM4E
SCHEMBL8433248 0.82 SRD5A2 (0.59) SRD5A2NPSR1HPGDMCOLN3KDM4E
SCHEMBL1827276 0.80 HPGD (0.56) SRD5A2NPSR1HPGDMCOLN3KDM4E
SCHEMBL8078533 0.79 SRD5A2 (0.51) SRD5A2LMNA
SCHEMBL8070686 0.74 LMNA (0.49) SRD5A2LMNA
SCHEMBL28125163 0.74 XDH (0.63) SRD5A2NPSR1HPGDMCOLN3KDM4E
SCHEMBL30268201 0.72 NPSR1 (0.66) SRD5A2NPSR1HPGDMCOLN3KDM4E
SCHEMBL1142324 0.71 NPSR1 (0.54) NPSR1HPGDMCOLN3KDM4EALDH1A1

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