SCHEMBL8433248

SCHEMBL8433248

CC(C)N(C(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.59
NPSR1 Q6W5P4 2/20 0.57
HPGD P15428 2/20 0.51
MCOLN3 Q8TDD5 2/20 0.51
RXRA P19793 4/20 0.49
RXRB P28702 4/20 0.49
RXRG P48443 1/20 0.49
BCL2L1 Q07817 1/20 0.48
BAD Q92934 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL1827276 0.94 HPGD (0.56) SRD5A2NPSR1HPGDMCOLN3KDM4E
SCHEMBL30268201 0.89 NPSR1 (0.66) SRD5A2NPSR1HPGDMCOLN3KDM4E
SCHEMBL8079678 0.85 NPSR1 (0.60) SRD5A2NPSR1HPGDMCOLN3KDM4E
SCHEMBL28125163 0.83 XDH (0.63) SRD5A2NPSR1HPGDMCOLN3RXRA
SCHEMBL8433883 0.82 SRD5A2 (0.47) SRD5A2NPSR1HPGDMCOLN3RXRA
SCHEMBL8437651 0.81 SRD5A2 (0.46) SRD5A2NPSR1HPGDMCOLN3RXRA
SCHEMBL8435617 0.81 SRD5A2 (0.46) SRD5A2NPSR1HPGDMCOLN3RXRA
SCHEMBL458409 0.79 NPSR1 (0.59) NPSR1HPGDMCOLN3KDM4EALDH1A1
SCHEMBL8434370 0.79 SRD5A2 (0.54) SRD5A2RXRARXRBRXRGBCL2L1
SCHEMBL8691793 0.79 NPSR1 (0.58) SRD5A2NPSR1HPGDMCOLN3RXRA

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