Benzene

Benzene

SCHEMBL28526211

CCCCCCCCCCOP(O)OCCCCCCCCCC.c1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.42
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
NR5A1 Q13285 1/20 0.39
PLA2G2A P14555 1/20 0.39
TP53 P04637 1/20 0.39
LPAR3 Q9UBY5 6/20 0.39
LPAR2 Q9HBW0 5/20 0.39
LPAR1 Q92633 2/20 0.39
NAAA Q02083 1/20 0.39
LTA4H P09960 1/20 0.38
PLA2G4B P0C869 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
SCHEMBL258773 0.93 THRB (0.44) GBA1TSHRLMNAMEN1THRB
SCHEMBL6267890 0.93 THRB (0.44) GBA1TSHRLMNAMEN1THRB
SCHEMBL1260510 0.93 THRB (0.44) GBA1TSHRLMNAMEN1THRB
SCHEMBL164198 0.93 THRB (0.44) GBA1TSHRLMNAMEN1THRB
SCHEMBL6272715 0.93 THRB (0.44) GBA1TSHRLMNAMEN1THRB
SCHEMBL15722834 0.93 THRB (0.44) GBA1TSHRLMNAMEN1THRB
SCHEMBL258261 0.93 THRB (0.44) GBA1TSHRLMNAMEN1THRB
SCHEMBL14351508 0.93 THRB (0.44) GBA1TSHRLMNAMEN1THRB
SCHEMBL456550 0.93 THRB (0.44) GBA1TSHRLMNAMEN1THRB
SCHEMBL164843 0.93 THRB (0.44) GBA1TSHRLMNAMEN1THRB

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-212523551-U Tail gas treatment device for preparation process of diphenyl diisodecyl phosphite 江苏常青树新材料科技股份有限公司 2021-02-12 CN disclosed