SCHEMBL11764837

SCHEMBL11764837

O=P(O)(S)C(P(=O)(O)S)P(=O)(O)Sc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.49
MMP8 P22894 3/20 0.49
MMP14 P50281 2/20 0.49
MMP1 P03956 1/20 0.45
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
CA2 P00918 4/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA12 O43570 2/20 0.33
CYP1A2 P05177 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7240169 0.74 MMP2 (0.55) MMP2MMP8MMP14MMP1CYP2C9
Hydrochloric Acid SCHEMBL10809959 0.72 MMP2 (0.53) MMP2MMP8MMP14MMP1CYP2C9
SCHEMBL9639793 0.68 MMP2 (0.47) MMP2MMP8MMP14MMP1CYP2C9
Hydrochloric Acid SCHEMBL10808794 0.67 MMP2 (0.47) MMP2MMP8MMP14MMP1CYP2C9
1,4-Dichlorobenzene SCHEMBL28425304 0.66 LMNA (0.57) MMP2MMP8MMP14MMP1MEN1
Tiludronic Acid SCHEMBL18988 0.66 MMP2 (1.00) MMP2MMP8MMP14MMP1CYP2C9
SCHEMBL10699180 0.64 KMT2A (0.47) MMP2MMP8MMP14MMP1HSD17B10
Tiludronic Acid SCHEMBL3628467 0.64 MMP2 (0.96) MMP2MMP8MMP14MMP1CYP2C9
SCHEMBL11764844 0.63 RAB9A (0.40) MMP2MMP8MMP14MMP1CYP2C9
Tiludronic Acid SCHEMBL8607914 0.63 MMP2 (0.92) MMP2MMP8MMP14MMP1CYP2C9

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-4005197-A Combating insects, acarids and nematodes with S-alkoxyethyl-phenyl-di- and tri-thiophosphonic acid esters BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 US disclosed