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Formic Acid

Formic Acid

SCHEMBL5253227

CNc1cc(C(=O)NC(Cc2ccccc2)C(O)CNCc2cccc(C(F)(F)F)c2)cc(N2CCCS2(=O)=O)c1.O=CO

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.84
▸ BACE2 Q9Y5Z0 19/20 0.84
▸ CTSD P07339 18/20 0.84
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61

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
SCHEMBL5221376 0.90 BACE1 (1.00) BACE1BACE2CTSDCYP3A4CYP2D6
SCHEMBL5219811 0.87 BACE1 (0.85) BACE1BACE2CTSDCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5223074 0.86 BACE1 (0.84) BACE1BACE2CTSDCYP3A4CYP2D6
SCHEMBL5219295 0.86 BACE1 (0.87) BACE1BACE2CTSDCYP3A4CYP2D6
SCHEMBL18767069 0.86 CTSD (0.78) BACE1BACE2CTSDCYP3A4CYP2D6
SCHEMBL18767262 0.86 BACE1 (0.82) BACE1BACE2CTSDCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5223798 0.86 BACE1 (0.86) BACE1BACE2CTSDCYP3A4CYP2D6
SCHEMBL5218919 0.86 BACE1 (0.76) BACE1BACE2CTSDCYP3A4CYP2D6
SCHEMBL5224847 0.85 BACE1 (1.00) BACE1BACE2CTSDCYP3A4CYP2D6
SCHEMBL5219851 0.85 BACE1 (0.85) BACE1BACE2CTSDCYP3A4CYP2D6

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-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 — — EP disclosed