SCHEMBL8975603

SCHEMBL8975603

C=C(C)C(=O)NCCCOP(C)(C)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 1/20 0.37
SAT1 P21673 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 1/20 0.34
RECQL P46063 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL8847181 0.86 LPAR3 (0.43) CA12CA1CA2CA9TSHR
SCHEMBL8975690 0.85 TSHR (0.38) CA12CA1CA2CA9TSHR
SCHEMBL15785207 0.82 SAT1 (0.44) CA12CA1CA2CA9TSHR
Trimethylammonium SCHEMBL28395649 0.82 LPAR3 (0.40) CA12CA1CA2CA9TSHR
SCHEMBL141759 0.82 TSHR (0.55) TSHRALDH1A1SMN1; SMN2RECQLPOLB
SCHEMBL16384827 0.81 LPAR3 (0.39) CA12CA1CA2CA9SAT1
SCHEMBL3371494 0.80 LPAR3 (0.49) CA12CA1CA2CA9KDM4E
SCHEMBL812188 0.80 LPAR3 (0.49) CA12CA1CA2CA9KDM4E
SCHEMBL28707552 0.80 LPAR3 (0.49) CA12CA1CA2CA9KDM4E
SCHEMBL24496157 0.80 ALDH1A1 (0.41) TSHRALDH1A1SMN1; SMN2ACHERECQL

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-5523367-A DISPOSABLE PRODUCTS PHILLIPS PETROLEUM COMPANY (US) 1996-06-04 US disclosed