SCHEMBL8538683

SCHEMBL8538683

O=C(Cc1cc(O)c(SCCc2ccccc2)c(=O)o1)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
HPGD P15428 3/20 0.39
CYP19A1 P11511 1/20 0.39
PTGS2 P35354 1/20 0.38
PTPN1 P18031 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DAO P14920 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
HTR2B P41595 1/20 0.34
HTR3A P46098 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL8538591 0.82 CYP19A1 (0.38) KMT2AHPGDCYP19A1PTPN1L3MBTL1
SCHEMBL7375775 0.81 HTR2B (0.50) PTGS2DAOGPR84HTR2BHTR3A
SCHEMBL8538469 0.78 ALOX5 (0.38) KMT2AHPGDPTGS2PTPN1KDM4E
SCHEMBL8534402 0.77 CYP19A1 (0.36) KMT2AHPGDCYP19A1PTGS2PTPN1
SCHEMBL8538467 0.75 PPARG (0.37) KMT2AHPGDPTGS2PTPN1L3MBTL1
SCHEMBL8586973 0.74 POLB (0.44) KMT2AHPGDL3MBTL1KDM4ECA12
SCHEMBL11787842 0.74 ALDH1A1 (0.45) KMT2AHPGDPTGS2KDM4EDAO
SCHEMBL6957097 0.74 CYSLTR1 (0.41) PTPN1L3MBTL1GPR84
SCHEMBL6958143 0.73 HTR2B (0.49) PTPN1DAOHTR2BHTR3ACA12
SCHEMBL6959585 0.71 FABP4 (0.45) KMT2AHPGDL3MBTL1KDM4ELMNA

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
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US claimed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed