SCHEMBL25933703

SCHEMBL25933703

Cc1cc(OP(=O)(Oc2ccccc2)Oc2ccccc2)ccc1OP(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HCRTR1 O43613 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
SRC P12931 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL160572 0.88 HPGD (0.54) CYP3A4TSHRMEN1KMT2AHCRTR1
SCHEMBL3174312 0.88 HPGD (0.54) CYP3A4TSHRMEN1KMT2AHCRTR1
SCHEMBL28464772 0.85 KMT2A (0.43) CYP3A4TSHRMEN1KMT2AHCRTR1
SCHEMBL7770144 0.84 CYP3A4 (0.41) CYP3A4TSHRMEN1KMT2AHCRTR1
SCHEMBL29583483 0.84 TSHR (0.50) CYP3A4TSHRMEN1KMT2AHCRTR1
Triphenyl Phosphate SCHEMBL28329677 0.84 TSHR (0.50) CYP3A4TSHRMEN1KMT2AHCRTR1
SCHEMBL866536 0.84 TSHR (0.50) CYP3A4TSHRMEN1KMT2AHCRTR1
SCHEMBL6659835 0.84 TSHR (0.50) CYP3A4TSHRMEN1KMT2AHCRTR1
SCHEMBL3688094 0.83 TSHR (0.51) CYP3A4TSHRMEN1KMT2AHCRTR1
SCHEMBL3680724 0.83 TSHR (0.51) CYP3A4TSHRMEN1KMT2AHCRTR1

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