SCHEMBL25933558

SCHEMBL25933558

O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.47
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
SRC P12931 1/20 0.40
GSTP1 P09211 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
INPPL1 O15357 1/20 0.36
INPP5A Q14642 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BACE1 P56817 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL1234398 0.84 SRC (0.44) GPR84CYP3A4TSHRSRCL3MBTL1
SCHEMBL3677645 0.84 SRC (0.44) GPR84CYP3A4TSHRSRCL3MBTL1
SCHEMBL11426710 0.82 NCOA1 (0.50) GPR84CYP3A4TSHRSRCGSTP1
SCHEMBL3680242 0.80 GPR84 (0.49) GPR84GSTP1TDP1KDM4E
SCHEMBL3687705 0.80 GPR84 (0.49) GPR84GSTP1TDP1KDM4E
SCHEMBL11417720 0.78 PTGS2 (0.43) GPR84SRCL3MBTL1TDP1KDM4E
SCHEMBL11417721 0.78 PTGS2 (0.43) GPR84SRCL3MBTL1TDP1KDM4E
SCHEMBL25933703 0.78 CYP3A4 (0.50) CYP3A4TSHRSRCL3MBTL1TDP1
SCHEMBL9621941 0.78 CYP3A4 (0.41) CYP3A4TSHRSRCL3MBTL1TDP1
SCHEMBL360818 0.78 CYP3A4 (0.52) CYP3A4TSHRSRCGSTP1L3MBTL1

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-20230242830-A1 USE OF OILS COMPRISING NON-NEUROTOXIC ANTI-WEAR ADDITIVES NYCO (FR) 2023-08-03 US disclosed
US-20230242830-A1 USE OF OILS COMPRISING NON-NEUROTOXIC ANTI-WEAR ADDITIVES NYCO (FR) 2023-08-03 US disclosed