SCHEMBL20171129

SCHEMBL20171129

COC(=O)c1cc2c(c(OCc3ccccc3)c1)OCCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
LMNA P02545 2/20 0.54
PLK1 P53350 1/20 0.49
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
PPIA P62937 1/20 0.43

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
SCHEMBL28834772 0.91 HPGD (0.54) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL6044463 0.88 HSD17B10 (0.46) HPGDLMNAPLK1SMN1; SMN2RAB9A
SCHEMBL30077217 0.85 HPGD (0.53) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL3569510 0.80 HPGD (0.53) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL2796317 0.79 PLK1 (0.74) LMNAPLK1SMN1; SMN2RAB9ANPC1
SCHEMBL16002850 0.79 PLK1 (0.52) HPGDPLK1SMPD1RAB9ANPC1
SCHEMBL16000138 0.78 MAOB (0.51) HPGDSMN1; SMN2RAB9ANPC1MAOA
SCHEMBL23957505 0.78 HPGD (0.51) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL30257717 0.78 HPGD (0.51) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL16015342 0.78 LMNA (0.67) HPGDLMNASMPD1HDAC1HDAC8

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-2772480-B2 HIV REPLICATION INHIBITOR SHIONOGI & CO (JP) 2020-12-09 EP disclosed
EP-2772480-B1 HIV REPLICATION INHIBITOR SHIONOGI & CO (JP) 2018-05-23 EP disclosed