SCHEMBL11225829

SCHEMBL11225829

COc1ccc(P(=O)(Cl)Cl)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
ACHE P22303 1/20 0.45
TSHR P16473 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
TPMT P51580 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL11919299 0.80 ALDH1A1 (0.41) CYP1A2ALDH1A1CYP3A4KMT2AGAA
SCHEMBL4406229 0.79 TSHR (0.48) CA2CA12CA1CA7CA9
SCHEMBL10723400 0.79 CA2 (0.45) CA2CA12CA1CA7CA9
SCHEMBL518060 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4LMNAHTTKMT2A
SCHEMBL7616686 0.75 KMT2A (0.51) CA2CA12CA1CA7CA9
SCHEMBL2212578 0.71 CA1 (0.52) CA2CA12CA1CA7CA9
SCHEMBL29184900 0.70 MAPT (0.44) CA2CA12CA1CA7CA9
SCHEMBL11234008 0.69 ACHE (0.47) CA2CA1CA7CA9ACHE
SCHEMBL11098711 0.68 ACHE (0.48) CA9ACHEALDH1A1CYP3A4HTT
SCHEMBL28272251 0.68 ACHE (0.45) CA2CA1CA7CA9ACHE

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-4319913-A Substituted benzazaphospholes, herbicidal compositions and the use thereof MONSANTO COMPANY (US) 1982-03-16 US disclosed