SCHEMBL8538469

SCHEMBL8538469

O=C(COc1ccccc1)Oc1cc(O)c(SCCc2ccccc2)c(=O)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
KDM5A P29375 1/20 0.37
PTGS2 P35354 1/20 0.37
PLA2G2A P14555 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GPR84 Q9NQS5 2/20 0.36
PLA2G4B P0C869 1/20 0.35
PLA2G4A P47712 1/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
ALOX15 P16050 1/20 0.35
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34

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
SCHEMBL8538683 0.78 KMT2A (0.39) PTGS2KDM4ELMNANPC1GPR84
SCHEMBL6956259 0.77 XDH (0.48) KDM5APOLBSMN1; SMN2PLA2G4AALOX15
SCHEMBL8434646 0.77 KDM4E (0.54) KDM5AKDM4EPOLBHPGDMAPK1
SCHEMBL6959585 0.76 FABP4 (0.45) KDM5APLA2G2AKDM4ELMNAPOLB
SCHEMBL8538467 0.73 PPARG (0.37) PTGS2KDM4EGPR84HPGDKMT2A
SCHEMBL6952547 0.72 ABCB1 (0.50) PTGS2LMNAPTPN1
SCHEMBL6956331 0.72 SLC16A3 (0.46) NPC1RAB9AKMT2A
SCHEMBL7375775 0.72 HTR2B (0.50) PTGS2GPR84
SCHEMBL11787842 0.72 ALDH1A1 (0.45) PTGS2KDM4ERAB9ASMN1; SMN2GPR84
SCHEMBL6957097 0.72 CYSLTR1 (0.41) POLBSMN1; SMN2GPR84PTPN1

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