SCHEMBL11175697

SCHEMBL11175697

ClCc1ccc2sc3ccccc3c2c1CCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.43
MAPT P10636 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
MCL1 Q07820 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
DUSP3 P51452 1/20 0.39
BLM P54132 1/20 0.39
PTPN5 P54829 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN11 Q06124 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
RAB9A P51151 4/20 0.35
HPGD P15428 3/20 0.35
CYP1A2 P05177 3/20 0.35
NPC1 O15118 3/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL232235 0.76 GPR3 (0.43) GPR3MAPTTDP1MCL1MEN1
SCHEMBL1636538 0.74 GPR3 (0.68) GPR3MAPTTDP1MCL1MEN1
Trimethylammonium SCHEMBL27719434 0.72 ALDH1A1 (0.40) GPR3MAPTTDP1MCL1MEN1
SCHEMBL2808913 0.72 GPR3 (0.39) GPR3MAPTTDP1MCL1MEN1
SCHEMBL7943732 0.71 MAPT (0.47) GPR3MAPTTDP1MCL1MEN1
SCHEMBL16985163 0.71 GPR3 (0.62) GPR3MAPTTDP1MCL1MEN1
SCHEMBL28230509 0.70 GPR3 (0.50) GPR3MAPTTDP1MCL1MEN1
SCHEMBL10515183 0.70 LIMK1 (0.40) GPR3MAPTTDP1MCL1MEN1
SCHEMBL2388063 0.69 GPR3 (0.43) GPR3MAPTTDP1MCL1MEN1
SCHEMBL1477083 0.68 CYP1A2 (0.51) GPR3MAPTTDP1MCL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4380554-A Polymeric monohydroxybenzenoid hydroquinoid antioxidants STANDARD OIL COMPANY (INDIANA) (US) 1983-04-19 US claimed
US-4310657-A Polymeric monohydroxybenzenoid hydroquinoid antioxidants STANDARD OIL COMPANY (INDIANA) (US) 1982-01-12 US claimed
US-4380554-A Polymeric monohydroxybenzenoid hydroquinoid antioxidants STANDARD OIL COMPANY (INDIANA) (US) 1983-04-19 US disclosed
US-4310657-A Polymeric monohydroxybenzenoid hydroquinoid antioxidants STANDARD OIL COMPANY (INDIANA) (US) 1982-01-12 US disclosed