SCHEMBL11040455

SCHEMBL11040455

CCOP(=O)(CNC(=O)OC)OCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
PPARD Q03181 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
EPHX1 P07099 1/20 0.39
FPR2 P25090 6/20 0.37
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL11026121 0.86 TSHR (0.43) TSHRPPARDCA12CA1CA2
SCHEMBL11038208 0.80 EPHX1 (0.39) TSHREPHX1ALDH1A1
SCHEMBL14948790 0.79 TSHR (0.44) TSHRPPARDCA12CA1CA2
SCHEMBL15127565 0.76 TSHR (0.41) TSHRPPARDCA12CA1CA2
SCHEMBL10715864 0.76 CA12 (0.43) TSHRPPARDCA12CA1CA2
SCHEMBL6829843 0.76 TSHR (0.41) TSHRPPARDCA12CA1CA2
SCHEMBL3018969 0.76 TSHR (0.41) TSHRPPARDCA12CA1CA2
SCHEMBL5272432 0.76 TSHR (0.41) TSHRPPARDCA12CA1CA2
SCHEMBL11146152 0.75 EPHX1 (0.41) TSHRCA12CA1CA2CA9
SCHEMBL20882708 0.75 PPARD (0.44) TSHRPPARDCA12CA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57002295-A None JP disclosed
EP-0078766-B1 PROCESS FOR PREPARING AMINOMETHYLPHOSPHONIC ACID CIBA-GEIGY AG (CH) 1985-04-17 EP disclosed
US-4368162-A Process for producing aminomethylphosphonic acid CIBA-GEIGY CORPORATION (US) 1983-01-11 US disclosed
JP-S572295-A PHOSPHONIC DERIVATIVE AND ITS PREPARATION SHONO TATSUYA 1982-01-07 JP disclosed