SCHEMBL11050294

SCHEMBL11050294

CC(C)COC(=O)OCC(I)=C(I)I

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS1 P23219 1/20 0.38
APEX1 P27695 1/20 0.38
THPO P40225 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL11059714 0.85 TSHR (0.37) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL11059738 0.85 TSHR (0.37) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL37351 0.80 TSHR (0.54) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL25435787 0.80 TSHR (0.54) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL11060087 0.79 SMN1; SMN2 (0.32) TSHRALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL9998248 0.78 TSHR (0.52) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL11055977 0.78 TSHR (0.36) TSHRLMNA
SCHEMBL11053953 0.77 ALDH1A1 (0.59) TSHRLMNACYP2C9ALDH1A1
SCHEMBL305672 0.74 TSHR (0.45) TSHRTDP1MEN1LMNACYP3A4
SCHEMBL11061767 0.74 NPC1 (0.34) TDP1MEN1LMNAKMT2AALDH1A1

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-4487781-A HEAT RESISTANCE; PHOTOSTABILITY SANKYO COMPANY LIMITED (JP) 1984-12-11 US disclosed