Benzene

Benzene

SCHEMBL11142811

O=P(O)(Oc1ccccc1)Oc1ccccc1.c1ccccc1

nearest known ligand 0.73

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.73
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
POLB P06746 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GPR84 Q9NQS5 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ANPEP P15144 2/20 0.48
LAP3 P28838 2/20 0.48
TSHR P16473 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46

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
SCHEMBL27676341 1.00 SRC (0.73) SRCL3MBTL1TDP1CYP2C9CYP2C19
SCHEMBL37038 1.00 SRC (0.73) SRCL3MBTL1TDP1CYP2C9CYP2C19
SCHEMBL9583781 0.97 SRC (0.70) SRCL3MBTL1TDP1CYP2C9CYP2C19
Phosphoric Acid SCHEMBL8142468 0.97 SRC (0.70) SRCL3MBTL1TDP1CYP2C9CYP2C19
Water SCHEMBL7104000 0.97 SRC (0.70) SRCL3MBTL1TDP1CYP2C9CYP2C19
SCHEMBL23241864 0.97 SRC (0.70) SRCL3MBTL1TDP1CYP2C9CYP2C19
SCHEMBL11317985 0.97 SRC (0.70) SRCL3MBTL1TDP1CYP2C9CYP2C19
Phosphoric Acid SCHEMBL2168208 0.97 SRC (0.70) SRCL3MBTL1TDP1CYP2C9CYP2C19
SCHEMBL150325 0.97 SRC (0.70) SRCL3MBTL1TDP1CYP2C9CYP2C19
SCHEMBL3961989 0.97 SRC (0.70) SRCL3MBTL1TDP1CYP2C9CYP2C19

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-4391761-A Process for the production of aryl phosphonyl compounds BAYER AKTIENGESELLSCHAFT (DE) 1983-07-05 US disclosed