SCHEMBL30480313

SCHEMBL30480313

COC(=O)c1cccc([131I])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
TSHR P16473 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP4F2 P78329 2/20 0.54
CYP4A11 Q02928 2/20 0.54
NPC1 O15118 3/20 0.54
POLB P06746 1/20 0.53
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50

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
SCHEMBL34953 0.85 TSHR (0.70) RAB9ATSHRLOXL2ALDH1A1CYP4F2
Ammonia Solution, Strong SCHEMBL28556515 0.83 TSHR (0.67) RAB9ATSHRLOXL2ALDH1A1CYP4F2
SCHEMBL9943503 0.83 TSHR (0.67) RAB9ATSHRLOXL2ALDH1A1CYP4F2
Lithium SCHEMBL29634258 0.83 TSHR (0.67) RAB9ATSHRLOXL2ALDH1A1CYP4F2
Potassium SCHEMBL30190417 0.83 TSHR (0.67) RAB9ATSHRLOXL2ALDH1A1CYP4F2
Methyl Alcohol SCHEMBL28469619 0.83 TSHR (0.67) RAB9ATSHRLOXL2ALDH1A1CYP4F2
SCHEMBL8054504 0.83 TSHR (0.67) RAB9ATSHRLOXL2ALDH1A1CYP4F2
SCHEMBL10941453 0.83 TSHR (0.67) RAB9ATSHRLOXL2ALDH1A1CYP4F2
SCHEMBL29966404 0.83 TSHR (0.67) RAB9ATSHRLOXL2ALDH1A1CYP4F2
Methoxymethane SCHEMBL28319663 0.83 TSHR (0.67) RAB9ATSHRLOXL2ALDH1A1CYP4F2

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-116390899-A Reaction of solid-phase-promoted radioactive compounds 普雷西里克斯公司 2023-07-04 CN disclosed