SCHEMBL8637486

SCHEMBL8637486

CCOC(=O)C(C)(S)c1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 2/20 0.42
FBP1 P09467 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNN4 O15554 1/20 0.38
RIPK1 Q13546 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 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
SCHEMBL17157482 0.82 MAPT (0.45) MAPTRAB9APOLBFBP1TSHR
SCHEMBL30628314 0.82 MAPT (0.45) MAPTRAB9APOLBFBP1TSHR
SCHEMBL8636721 0.78 KCNN4 (0.47) RAB9AHTTNPC1ALDH1A1KCNN4
Hydrochloric Acid SCHEMBL1420789 0.76 MAPT (0.40) MAPTRAB9APOLBTSHRNPC1
Hydrochloric Acid SCHEMBL1420793 0.76 MAPT (0.40) MAPTRAB9APOLBTSHRNPC1
SCHEMBL8871152 0.76 CYP3A4 (0.40) MAPTRAB9APOLBFBP1TSHR
SCHEMBL25303983 0.76 FBP1 (0.43) MAPTRAB9APOLBFBP1TSHR
SCHEMBL31294683 0.75 MAPT (0.41) MAPTRAB9APOLBFBP1TSHR
SCHEMBL9363344 0.75 MAPT (0.41) MAPTRAB9APOLBFBP1TSHR
SCHEMBL8873708 0.74 CYP3A4 (0.40) MAPTRAB9APOLBFBP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577712-B1 FUNGICIDAL 4-THIOXOOXAZOLIDIN-2-ONES AND 4-IMINOOXAZOLINDIN-2-ONES DU PONT (US) 1998-07-29 EP disclosed
EP-0503798-A1 Fungicidal 4-thixooxazolidin-2-ones and 4-iminooxazolindin-2-ones E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-16 EP disclosed