SCHEMBL30516320

SCHEMBL30516320

COC(=O)c1cccc([I+]c2cccc(C(=O)OC)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.54
CYP4F2 P78329 2/20 0.53
CYP4A11 Q02928 2/20 0.53
RAB9A P51151 3/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 2/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CA7 P43166 1/20 0.48
XDH P47989 1/20 0.48
CA14 Q9ULX7 1/20 0.48
GAA P10253 1/20 0.47
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.46
SLC7A5 Q01650 1/20 0.46

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
SCHEMBL5165440 1.00 TSHR (0.55) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL795457 0.95 TSHR (0.60) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL29457307 0.93 LOXL2 (0.49) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL12556800 0.89 CYP4F2 (0.51) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL34953 0.83 TSHR (0.70) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL795706 0.82 LOXL2 (0.49) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL8054504 0.81 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL9943503 0.81 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL10941453 0.81 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
Potassium SCHEMBL30190417 0.81 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A

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
CN-111050730-B Photoinitiator-modified polyacid polymers 登特斯普伊德特雷有限公司 2023-07-28 CN disclosed