SCHEMBL25933565

SCHEMBL25933565

CC(c1ccccc1)(c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
SRC P12931 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 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
SCHEMBL25933568 0.98 CYP3A4 (0.50) CYP3A4TSHRESR1ESR2SRC
SCHEMBL6472688 0.89 CYP3A4 (0.48) CYP3A4TSHRESR1ESR2SRC
SCHEMBL1548707 0.89 CYP3A4 (0.48) CYP3A4TSHRESR1ESR2SRC
SCHEMBL190450 0.87 L3MBTL1 (0.50) CYP3A4TSHRSRCL3MBTL1TDP1
SCHEMBL25513744 0.87 CYP3A4 (0.50) CYP3A4TSHRESR1ESR2SRC
SCHEMBL317541 0.87 L3MBTL1 (0.50) CYP3A4TSHRSRCL3MBTL1TDP1
SCHEMBL218852 0.87 CYP3A4 (0.50) CYP3A4TSHRESR1ESR2SRC
SCHEMBL9332956 0.87 CYP3A4 (0.50) CYP3A4TSHRESR1ESR2TDP1
Phosphine SCHEMBL7868153 0.85 L3MBTL1 (0.49) CYP3A4TSHRSRCL3MBTL1TDP1
SCHEMBL22035913 0.82 MAPK1 (0.44) CYP3A4TSHRSRCL3MBTL1TDP1

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