SCHEMBL24147685

SCHEMBL24147685

O=c1cc(CO)c2ccc(I)cc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.58
HSD17B3 P37058 5/20 0.51
MAOB P27338 4/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
AKR1B1 P15121 1/20 0.48
GRB2 P62993 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
BCHE P06276 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL28645964 0.83 HSD17B3 (0.47) HSD17B3LCKFYNAKR1B1GRB2
SCHEMBL4176874 0.81 HSD17B3 (0.76) MCL1HSD17B3MAOBLCKFYN
SCHEMBL27850010 0.80 CA12 (0.58) MCL1HSD17B3MAOBLCKFYN
SCHEMBL10330392 0.80 RAB9A (0.61) MCL1HSD17B3ALDH1A1GAA
SCHEMBL5459900 0.79 CA12 (0.61) MCL1HSD17B3MAOBCA12CA1
SCHEMBL30486066 0.79 CA12 (0.61) MCL1HSD17B3MAOBCA12CA1
SCHEMBL16582394 0.77 ALDH1A1 (0.68) MCL1HSD17B3MAOBAKR1B1CA12
SCHEMBL3194989 0.76 KDM4E (0.72) MAOBLCKCA12CA1CA2
SCHEMBL25166533 0.76 KMT2A (0.44) HSD17B3LCKFYNAKR1B1GRB2
SCHEMBL27965162 0.75 LCK (0.61) MCL1HSD17B3MAOBLCKFYN

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
US-20230120931-A1 METHOD FOR LOCALIZING SINGLE MOLECULES OF A DYE IN A SAMPLE AND FOR GENERATING HIGH-RESOLUTION IMAGES OF STRUCTURE IN A SAMPLE ABBERIOR INSTRUMENTS GMBH (DE) 2023-04-20 US disclosed
WO-2021259967-A1 METHOD FOR LOCATING INDIVIDUAL MOLECULES OF A DYE IN A SPECIMEN AND FOR GENERATING HIGH-RESOLUTION IMAGES OF A STRUCTURE IN A SPECIMEN ABBERIOR INSTRUMENTS GMBH (DE) 2021-12-30 WO disclosed