SCHEMBL28675867

SCHEMBL28675867

CC(C)(C)c1ccccc1-c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.34
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
SRC P12931 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
GPR84 Q9NQS5 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL11760144 0.80 PTPN5 (0.33) PTPN5TDP1GPR84
SCHEMBL345317 0.78 PTPN5 (0.37) PTPN5TSHRTDP1
SCHEMBL29353171 0.76 TDP1 (0.43) CYP3A4TSHRSRCL3MBTL1TDP1
SCHEMBL317540 0.76 TDP1 (0.43) CYP3A4TSHRSRCL3MBTL1TDP1
SCHEMBL30800887 0.76 TDP1 (0.43) CYP3A4TSHRSRCL3MBTL1TDP1
SCHEMBL190449 0.76 TDP1 (0.43) CYP3A4TSHRSRCL3MBTL1TDP1
SCHEMBL29800098 0.76 TDP1 (0.43) CYP3A4TSHRSRCL3MBTL1TDP1
SCHEMBL1897892 0.75 TRPA1 (0.33) PTPN5
SCHEMBL3678202 0.74 CYP3A4 (0.41) CYP3A4TSHRTDP1
SCHEMBL3287700 0.74 PTPN5 (0.32) PTPN5TDP1

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-113671068-A Method for analyzing environmental pollutant targeting exposure component in blood plasma and application thereof 暨南大学 2021-11-19 CN disclosed