SCHEMBL6932018

SCHEMBL6932018

O=C(OC(=O)C1CCCCC(Oc2ccccc2)C1)C1CCCCC(Oc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 13/20 0.49
SLC6A4 P31645 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
POLB P06746 1/20 0.42
ELANE P08246 1/20 0.42
HRH1 P35367 1/20 0.41
PARP10 Q53GL7 1/20 0.41
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
EPHX2 P34913 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL10188580 0.84 FFAR4 (0.52) FFAR4SLC6A4SLC6A2SLC6A3PARP10
SCHEMBL10188582 0.81 TSHR (0.47) FFAR4NPC1RAB9A
SCHEMBL26857799 0.80 AKR1C3 (0.51) FFAR4SLC6A4SLC6A2SLC6A3HRH1
Bicarbonate SCHEMBL6205907 0.78 HRH1 (0.55) FFAR4SLC6A4SLC6A2SLC6A3HRH1
SCHEMBL10188583 0.78 PARP10 (0.44) FFAR4PARP10NPC1PKMEPHX2
SCHEMBL26857966 0.78 SLC6A2 (0.46) FFAR4SLC6A4SLC6A2SLC6A3HRH1
SCHEMBL1829827 0.75 HRH1 (0.65) SLC6A4SLC6A2SLC6A3HRH1PARP10
SCHEMBL16112493 0.75 KDM1A (0.49) FFAR4SLC6A4SLC6A2SLC6A3HRH1
SCHEMBL795203 0.74 SLC6A4 (0.52) FFAR4SLC6A4SLC6A2SLC6A3HRH1
SCHEMBL11792902 0.73 HRH1 (0.63) SLC6A4SLC6A2SLC6A3HRH1PARP10

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