SCHEMBL6938286

SCHEMBL6938286

OC(COc1ccccc1)COc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
PPARG P37231 1/20 0.61
PPARA Q07869 1/20 0.61
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
SCN4A P35499 2/20 0.59
KMT2A Q03164 3/20 0.57
MEN1 O00255 1/20 0.57
NPY1R P25929 1/20 0.56
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 2/20 0.54
DRD4 P21917 1/20 0.53
MITF O75030 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53

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
SCHEMBL267463 0.88 LMNA (0.68) SCN4AKMT2AMEN1LMNAHTT
SCHEMBL9663144 0.85 CA1 (0.55) CYP1A2NPC1RAB9ASCN4AKMT2A
SCHEMBL14546274 0.84 LMNA (0.59) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL11140249 0.83 CYP1A2 (0.66) CYP1A2NPC1RAB9ASCN4AKMT2A
SCHEMBL93836 0.82 CYP1A2 (0.60) CYP1A2NPC1RAB9ASCN4AKMT2A
SCHEMBL17991058 0.82 KDM1A (0.60) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL21194 0.82 CYP1A2 (0.60) CYP1A2NPC1RAB9ASCN4AKMT2A
SCHEMBL1496562 0.82 CYP1A2 (0.60) CYP1A2NPC1RAB9ASCN4AKMT2A
SCHEMBL11546333 0.82 CYP1A2 (0.65) CYP1A2PPARGPPARAKMT2AMEN1
SCHEMBL11450956 0.82 MAPT (0.85) NPC1RAB9AKMT2AMEN1NPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
CN-1262276-A Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2000-08-09 CN disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed