SCHEMBL9874076

SCHEMBL9874076

O=P([C]c1ccccc1)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 1/20 0.44
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.38
PKM P14618 2/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3357824 0.76 POLB (0.37) L3MBTL1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL3357819 0.76 POLB (0.37) L3MBTL1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL487130 0.76 SRC (0.52) SRCL3MBTL1TDP1KDM4EMEN1
Triphenyl Phosphate SCHEMBL10793117 0.72 SRC (0.58) SRCL3MBTL1TDP1KDM4ECYP2C9
SCHEMBL11098684 0.72 SRC (0.58) SRCL3MBTL1TDP1KDM4ECYP2C9
Triphenyl Phosphate SCHEMBL483692 0.71 SRC (0.64) SRCL3MBTL1TDP1KDM4ECYP2C9
Triphenyl Phosphate SCHEMBL18116 0.71 SRC (0.64) SRCL3MBTL1TDP1KDM4ECYP2C9
SCHEMBL28563480 0.71 SRC (0.64) SRCL3MBTL1TDP1KDM4ECYP2C9
Triphenyl Phosphate SCHEMBL28761613 0.71 SRC (0.64) SRCL3MBTL1TDP1KDM4ECYP2C9
Triphenyl Phosphate SCHEMBL28557783 0.71 SRC (0.64) SRCL3MBTL1TDP1KDM4ECYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4987136-A OPIOID ANTAGONISTS THE ROCKEFELLER UNIVERSITY (US) 1991-01-22 US disclosed
EP-0103636-B1 USE OF OPIUM ANTAGONISTS FOR THE MANUFACTURE OF MEDICAMENTS FOR CONTROLLING GASTROINTESTINAL DYSMOTILITY ROCKEFELLER UNIVERSITY (US) 1990-09-12 EP disclosed
EP-0103636-A4 USE OF OPIUM ANTAGONISTS FOR THE MANUFACTURE OF MEDICAMENTS FOR CONTROLLING GASTROINTESTINAL DYSMOTILITY. UNIV ROCKEFELLER (US) 1986-03-04 EP disclosed
EP-0103636-A1 USE OF OPIUM ANTAGONISTS FOR THE MANUFACTURE OF MEDICAMENTS FOR CONTROLLING GASTROINTESTINAL DYSMOTILITY. UNIV ROCKEFELLER (US) 1984-03-28 EP disclosed
WO-1983003197-A1 METHOD FOR CONTROLLING GASTROINTESTINAL DYSMOTILITY UNIV ROCKEFELLER (US) 1983-09-29 WO disclosed