SCHEMBL8437445

SCHEMBL8437445

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.47
HCAR3 P49019 10/20 0.44
TSHR P16473 2/20 0.44
CASP6 P55212 1/20 0.43
LMNA P02545 1/20 0.41
PARP1 P09874 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ERN1 O75460 1/20 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
SCHEMBL8078533 0.93 SRD5A2 (0.51) SRD5A2HCAR3TSHRCASP6LMNA
SCHEMBL8070684 0.87 LMNA (0.49) SRD5A2HCAR3TSHRCASP6LMNA
SCHEMBL8070686 0.87 LMNA (0.49) SRD5A2HCAR3TSHRCASP6LMNA
SCHEMBL8433883 0.86 SRD5A2 (0.47) SRD5A2LMNA
SCHEMBL8435101 0.80 VCAM1 (0.50) SRD5A2LMNAMEN1KMT2AERN1
SCHEMBL8695884 0.77 LMNA (0.39) SRD5A2HCAR3TSHRLMNAPARP1
SCHEMBL8435617 0.77 SRD5A2 (0.46) SRD5A2LMNA
SCHEMBL8433598 0.75 VCAM1 (0.46) SRD5A2LMNAMEN1KMT2AERN1
SCHEMBL8437651 0.74 SRD5A2 (0.46) SRD5A2LMNA
SCHEMBL8433248 0.73 SRD5A2 (0.59) SRD5A2TSHRLMNA

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