SCHEMBL7042929

SCHEMBL7042929

O=S(=O)(O)c1ccc(OCc2ccccc2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.53
CCR8 P51685 1/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MRGPRX4 Q96LA9 2/20 0.47
SLC40A1 Q9NP59 1/20 0.45
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
ALPG P10696 1/20 0.43
PTK2B Q14289 1/20 0.43
SGMS2 Q8NHU3 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
SRD5A2 P31213 1/20 0.42

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
SCHEMBL15953373 0.98 FABP4 (0.52) FABP4CCR8MAPTNPC1RAB9A
SCHEMBL14842559 0.84 FABP4 (0.50) FABP4CCR8MAPTNPC1RAB9A
SCHEMBL15953371 0.83 FABP4 (0.49) FABP4CCR8MAPTNPC1RAB9A
SCHEMBL31483363 0.83 FABP4 (0.49) FABP4CCR8MAPTNPC1RAB9A
SCHEMBL29380769 0.81 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL416462 0.81 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL13812467 0.81 TSHR (0.59) FABP4MAPTSMN1; SMN2LMNAHPGD
SCHEMBL1028419 0.80 ALPG (0.51) MAPTNPC1L3MBTL1ALPGPTK2B
SCHEMBL14844661 0.80 FABP4 (0.67) FABP4CCR8SMN1; SMN2L3MBTL1SLC40A1
SCHEMBL3754233 0.79 TSHR (0.58) FABP4MAPTSMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950649-B1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides MITSUI CHEMICALS INC (JP) 2003-03-26 EP disclosed
US-6130346-A ESTERIFICATION, CARBONATION, SULFONATION, ETHERIFICATION MITSUI CHEMICALS, INC. (JP) 2000-10-10 US disclosed
EP-0950649-A1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides Mitsui Chemicals, Inc. (JP) 1999-10-20 EP disclosed