SCHEMBL28050892

SCHEMBL28050892

O=P(O)(O)c1ccccc1S.c1ccc(-c2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 3/20 0.47
FDPS P14324 2/20 0.46
MMP8 P22894 2/20 0.46
MMP14 P50281 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 1/20 0.46
PTPN1 P18031 1/20 0.45
PTPN5 P54829 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
KMO O15229 1/20 0.43
ACP3 P15309 2/20 0.42
HDAC8 Q9BY41 2/20 0.40
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38

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
SCHEMBL108541 0.84 CA2 (0.44) CA2CA9KDM4EPOLBHDAC8
SCHEMBL28050809 0.80 HDAC8 (0.53) GGPS1FDPSMMP8MMP14CA14
Biphenyl SCHEMBL28050797 0.71 CYP1A2 (0.50) MMP8MMP14CA14CA2PTPN5
SCHEMBL7188804 0.71 CA2 (0.62) GGPS1FDPSMMP8MMP14CA14
SCHEMBL7190361 0.71 MEN1 (0.43) CA2CA9KMOHDAC8HDAC4
SCHEMBL30729584 0.69 ACP3 (0.47) GGPS1MMP8MMP14CA14CA2
Bicarbonate SCHEMBL9702180 0.69 KMO (0.70) KMOHDAC8HDAC4HDAC2ACMSD
Biphenyl SCHEMBL3467154 0.69 ACP3 (0.54) FDPSMMP8MMP14CA14CA2
Biphenyl SCHEMBL8373931 0.69 ACP3 (0.54) FDPSMMP8MMP14CA14CA2
SCHEMBL28639034 0.69 MEN1 (0.45) KMOHDAC8HDAC4HDAC2ACMSD

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-105175596-A Method for catalyzing copolymerization of ethylene and norbornene UNIV TIANJIN 2015-12-23 CN disclosed