SCHEMBL9352202

SCHEMBL9352202

O=C(O)C1CC(C(=O)OCc2ccccc2)N1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.51
ALDH1A1 P00352 2/20 0.50
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
S1PR5 Q9H228 1/20 0.42

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
SCHEMBL9356307 0.96 ALDH1A1 (0.54) FKBP1AALDH1A1FABP7FABP5NPC1
SCHEMBL9352186 0.96 ALDH1A1 (0.54) FKBP1AALDH1A1FABP7FABP5NPC1
SCHEMBL9352930 0.89 FKBP1A (0.49) FKBP1AALDH1A1FABP7FABP5TDP1
SCHEMBL9352596 0.89 FKBP1A (0.49) FKBP1AALDH1A1FABP7FABP5NPC1
SCHEMBL9352606 0.89 FKBP1A (0.49) FKBP1AALDH1A1FABP7FABP5NPC1
SCHEMBL9352588 0.89 FKBP1A (0.49) FKBP1AALDH1A1FABP7FABP5NPC1
SCHEMBL18397552 0.87 MEN1 (0.46) ALDH1A1
SCHEMBL9352909 0.87 KMT2A (0.50) FKBP1AALDH1A1TDP1
SCHEMBL9356467 0.87 KMT2A (0.50) FKBP1AALDH1A1TDP1
SCHEMBL9356472 0.87 KMT2A (0.50) FKBP1AALDH1A1TDP1

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
EP-0299513-B1 Azetidine derivatives, compositions and their use FIDIA GEORGETOWN INST (US) 1994-10-05 EP disclosed
US-4990504-A Modulate excitatory amino acid receptor system FIDIA-GEORGETOWN INSTITUTE FOR THE NEUROSCIENCES (US) 1991-02-05 US disclosed
US-4946839-A ALZHEIMER'S DISEASE FIDIA-GEORGETOWN INSTITUTE FOR THE NEUROSCIENCES (US) 1990-08-07 US disclosed
EP-0299513-A1 Azetidine derivatives, compositions and their use FIDIA-GEORGETOWN INSTITUTE FOR THE NEUROSCIENCES (US) 1989-01-18 EP disclosed