SCHEMBL9288243

SCHEMBL9288243

CCCCC(OCCCCCc1cn(OC(=O)CCC)c2ccccc12)c1ccc(CC(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.38
PTGS2 P35354 2/20 0.37
SRD5A1 P18405 4/20 0.36
SRD5A2 P31213 4/20 0.36
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FAAH O00519 1/20 0.33
IL6ST P40189 2/20 0.33
MCL1 Q07820 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL8959983 0.84 SRD5A1 (0.53) OXER1SRD5A1SRD5A2MCL1
SCHEMBL8959660 0.83 SRD5A1 (0.43) OXER1PTGS2SRD5A1SRD5A2MCL1
SCHEMBL9289534 0.74 ALOX12 (0.43) KDM4EHPGDHSD17B10MEN1KMT2A
SCHEMBL8959973 0.72 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL8959655 0.72 SRD5A1 (0.49) SRD5A1SRD5A2LMNA
SCHEMBL8959858 0.72 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL8959830 0.72 CNR1 (0.49) SRD5A1SRD5A2LMNA
SCHEMBL8960173 0.70 PTGS1 (0.46) PTGS2FAAHLMNA
SCHEMBL9289530 0.70 MAPT (0.56) HPGDHDAC10HDAC6
SCHEMBL8959819 0.69 MAPT (0.58) HPGDMEN1KMT2ALMNA

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-0648208-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-19 EP disclosed
WO-1994022821-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed