SCHEMBL11023916

SCHEMBL11023916

C=CCOC(=O)C(=O)NCP(=O)(OCC)OCC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARD Q03181 1/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FPR2 P25090 4/20 0.32
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL11045332 0.84 TSHR (0.42) EGLN1CA12CA1CA2CA9
SCHEMBL11022194 0.84 EGLN1 (0.52) EGLN1CA12CA1CA2CA9
SCHEMBL11024050 0.76 FPR2 (0.38) EGLN1CA12CA1CA2CA9
SCHEMBL491449 0.74 TSHR (0.43) CA12CA1CA2CA9TSHR
SCHEMBL8680851 0.74 TSHR (0.40) CA12CA1CA2CA9TSHR
SCHEMBL2028174 0.72 TSHR (0.46) TSHRTDP1PPARDMAPTNPC1
SCHEMBL5272432 0.72 TSHR (0.41) CA12CA1CA2CA9TSHR
SCHEMBL21626325 0.71 TSHR (0.38) CA12CA1CA2CA9TSHR
SCHEMBL30956298 0.71 TSHR (0.38) TSHRTDP1PPARDMAPTNPC1
SCHEMBL1723694 0.71 MAPT (0.42) EGLN1TSHRMAPTRAB9ASMN1; SMN2

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
EP-0063411-B1 SUBSTITUTED METHANEPHOSHONIC ACID DERIVATIVES, THEIR USE AS HERBICIDES, HERBICIDAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR PREPARING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-06-05 EP disclosed