SCHEMBL11463261

SCHEMBL11463261

Cc1ccc(OP(O)O)cc1.[BaH2]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 3/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TEAD4 Q15561 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
WDR5 P61964 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
RELA Q04206 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL2383687 0.97 ACHE (0.48) ACHELMNATDP1CYP3A4TSHR
SCHEMBL8443586 0.95 ACHE (0.46) ACHELMNATDP1CYP3A4TSHR
SCHEMBL7771302 0.95 ACHE (0.46) ACHELMNATDP1CYP3A4TSHR
SCHEMBL8040747 0.91 ACHE (0.42) ACHELMNATDP1CYP3A4TSHR
SCHEMBL8040834 0.89 ACHE (0.41) ACHELMNATDP1CYP3A4TSHR
SCHEMBL10880074 0.84 MEN1 (0.33) MEN1KMT2ACA1CA2CA9
SCHEMBL258227 0.82 ACHE (0.48) ACHELMNATDP1CYP3A4TSHR
SCHEMBL11311298 0.80 ACHE (0.46) ACHELMNATDP1CYP3A4TSHR
P-Cresol SCHEMBL11445056 0.79 ACHE (0.50) ACHELMNATDP1TSHRALDH1A1
SCHEMBL130635 0.78 ACHE (0.55) ACHELMNATDP1CYP3A4TSHR

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-4224218-A Stabilized vinyl chloride polymer comprising a metal mono-organic phosphite ARGUS CHEMICAL CORPORATION (US) 1980-09-23 US disclosed