SCHEMBL4728149

SCHEMBL4728149

COC(=O)CC(=O)c1cc(C)c(OCc2ccccc2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
LMNA P02545 1/20 0.55
PTPN1 P18031 2/20 0.45
GLRA1 P23415 1/20 0.45
TAOK1 Q7L7X3 1/20 0.44
TAOK3 Q9H2K8 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 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
SCHEMBL6811950 0.84 SMN1; SMN2 (0.57) HPGDLMNAPTPN1GLRA1TAOK1
SCHEMBL7848012 0.83 LMNA (0.50) HPGDLMNAPTPN1GLRA1TAOK1
SCHEMBL262646 0.82 MEN1 (0.63) HPGDLMNAPTPN1GLRA1MRGPRX4
Hydrochloric Acid SCHEMBL16143479 0.81 MEN1 (0.61) HPGDLMNAPTPN1GLRA1MRGPRX4
SCHEMBL4784102 0.81 MAOB (0.59) HPGDLMNAPTPN1GLRA1MRGPRX4
SCHEMBL14466872 0.80 SMN1; SMN2 (0.62) HPGDLMNAPTPN1GLRA1TAOK1
SCHEMBL262288 0.80 MAPT (0.56) HPGDLMNAPTPN1GLRA1TAOK1
SCHEMBL348412 0.80 GLRA1 (0.68) HPGDLMNAPTPN1GLRA1TAOK1
SCHEMBL12692634 0.80 HPGD (0.47) HPGDLMNAPTPN1GLRA1TAOK1
SCHEMBL12694523 0.80 LMNA (0.47) HPGDLMNAPTPN1GLRA1TAOK1

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
WO-2008052288-A1 DITHIOLE COMPOUNDS AS COX INHIBITORS NEURO THERAPEUTICS LIMITED (AU) 2008-05-08 WO disclosed