SCHEMBL7359573

SCHEMBL7359573

NC(=O)C(=O)NCCc1ccc(OC(F)F)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
PTGS1 P23219 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
THRB P10828 1/20 0.41
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
KMT2A Q03164 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL7359403 0.91 NOX4 (0.47) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL6811090 0.90 ALDH1A1 (0.47) ALDH1A1MAPTLMNACA1CA2
SCHEMBL7359851 0.86 ALDH1A1 (0.56) ALDH1A1MAPTLMNACA1CA2
SCHEMBL7362562 0.85 ALDH1A1 (0.58) ALDH1A1MAPTLMNACA1CA2
SCHEMBL9275919 0.80 PDE4D (0.53) ALDH1A1KMT2A
SCHEMBL7361910 0.79 MAPT (0.66) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL7358841 0.75 CA12 (0.69) ALDH1A1MAPTLMNACA1CA2
SCHEMBL7348827 0.73 PDE4D (0.52)
SCHEMBL13343804 0.73 CYP1A2 (0.45) ALDH1A1MAPTKDM4ELMNAPTGS1
SCHEMBL9269689 0.72 KMT2A (0.59) ALDH1A1MAPTLMNAHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538384-A4 OXAMIDES SMITHKLINE BEECHAM CORP (US) 1995-04-12 EP disclosed
US-5393788-A Phenylalkyl oxamides SMITHKLINE BEECHAM CORPORATION (US) 1995-02-28 US disclosed
EP-0538384-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-28 EP disclosed
CN-1060652-A OXAMIDES SMITHKLINE BEECHAM CORP (US) 1992-04-29 CN disclosed
WO-1992000968-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 WO disclosed