SCHEMBL8926650

SCHEMBL8926650

CC(C)COC(=O)C(Cl)CCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.43
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 1/20 0.32
P2RX4 Q99571 1/20 0.32
MAPK1 P28482 2/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS1 P23219 1/20 0.31
APEX1 P27695 1/20 0.31
THPO P40225 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL21811769 0.82 TSHR (0.43) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL13433733 0.79 TP53 (0.36) TSHRTDP1
SCHEMBL21811766 0.78 TSHR (0.41) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL7675814 0.78 TSHR (0.48) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL27452776 0.78 TSHR (0.48) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL9157102 0.78 TSHR (0.48) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL4253576 0.78 TSHR (0.48) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL27926178 0.78 TSHR (0.48) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL9722940 0.78 TP53 (0.30) TSHRTDP1
SCHEMBL30145011 0.78 TSHR (0.52) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663365-A Process for the preparation of pyrazolones JAPAN HYDRAZINE CO., LTD. (JP) 1997-09-02 US disclosed