Sugi Predict

Sugi Predict / Compounds / SCHEMBL7698248

SCHEMBL7698248

SCHEMBL7698248

O=C(O)CN(CC(=O)O)C1CCCC(N(CC(=O)O)CC(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ EYA2 O00167 1/20 0.36
▸ APP P05067 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL11186154 0.95 TDP1 (0.42) ALDH1A1EYA2APPACETDP1
SCHEMBL641812 0.95 TDP1 (0.39) EYA2APPACETDP1
SCHEMBL11186742 0.95 TDP1 (0.39) EYA2APPACETDP1
SCHEMBL3205284 0.93 ALDH1A1 (0.43) ALDH1A1EYA2APPACETDP1
SCHEMBL17337970 0.93 ALDH1A1 (0.43) ALDH1A1EYA2APPACETDP1
SCHEMBL17337986 0.91 ALDH1A1 (0.42) ALDH1A1EYA2APPACETDP1
SCHEMBL17338031 0.91 ALDH1A1 (0.42) ALDH1A1EYA2APPACETDP1
SCHEMBL642446 0.88 ALDH1A1 (0.35) ALDH1A1EYA2APPACETDP1
SCHEMBL7699086 0.85 TDP1 (0.36) EYA2APPACETDP1
SCHEMBL10824154 0.85 TDP1 (0.36) EYA2APPACETDP1

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
US-6350614-B1 SYSTEM FOR MONITORING AND CONTROLLING, THROUGH AUTOMATICALLY ACTIVATED QUENCHING SYSTEM, EXCESSIVE THERMAL BUILD-UP IN ION EXCHANGE PROCESS TREATING LIQUID CONTAINING SUBSTANCE CAPABLE OF UNDERGOING EXOTHERMIC REACTION CONCEPT SCIENCES, INC 2002-02-26 — — US disclosed