SCHEMBL11436766

SCHEMBL11436766

O=C(N[C@H](CF)C(=O)O)OC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
F2 P00734 1/20 0.40
PPARG P37231 5/20 0.39
PPARA Q07869 5/20 0.39
PPARD Q03181 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TACR1 P25103 1/20 0.37
SLC1A5 Q15758 1/20 0.37
ITGAV P06756 1/20 0.36

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
SCHEMBL4173742 0.86 MME (0.44) TSHRTP53ALDH1A1LMNAF2
SCHEMBL4182695 0.86 MME (0.44) TSHRTP53ALDH1A1LMNAF2
SCHEMBL4178228 0.86 MME (0.44) TSHRTP53ALDH1A1LMNAF2
SCHEMBL10566173 0.84 TSHR (0.42) TSHRTP53ALDH1A1LMNAF2
SCHEMBL11059105 0.84 GAA (0.48) TSHRTP53ALDH1A1MAPT
SCHEMBL4819455 0.84 GAA (0.48) TSHRTP53ALDH1A1MAPT
SCHEMBL10566164 0.84 TSHR (0.42) TSHRTP53ALDH1A1LMNAF2
SCHEMBL4582283 0.83 MME (0.54) PPARGTACR1
SCHEMBL27773632 0.80 MTNR1A (0.44) TSHRTP53ALDH1A1LMNAPPARG
SCHEMBL27773634 0.80 MTNR1A (0.44) TSHRTP53ALDH1A1LMNAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4213969-A Phosphonous acid derivatives, processes for their preparation and their use in combatting microorganisms CIBA-GEIGY CORPORATION (US) 1980-07-22 US disclosed
EP-0002039-A1 Phosphonous acid derivatives, processes for their preparation and their use in combating microorganisms CIBA-GEIGY AG (CH) 1979-05-30 EP disclosed