SCHEMBL9808441

SCHEMBL9808441

O=[N+]([O-])CCC(O)CCO

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
THRB P10828 1/20 0.42
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
HBB P68871 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 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
SCHEMBL18095951 0.83
SCHEMBL18095952 0.83
SCHEMBL27548544 0.79 ALDH1A1 (0.46) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL28246541 0.78
SCHEMBL29076174 0.78 ALDH1A1 (0.55) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL1702907 0.76
SCHEMBL6379596 0.76
SCHEMBL6379592 0.76
SCHEMBL17335808 0.74 ALDH1A1 (0.50) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL6379234 0.74 ALDH1A1 (0.54) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0287419-B1 PROCESS FOR THE ELECTROREDUCTION OF ALIPHATIC NITRO DERIVATIVES L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 1991-05-15 EP disclosed
US-4830717-A USING CATHODE OF COPPER SUPPORT AND ZINC OR CADMIUM ACTIVE ELEMENT L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 1989-05-16 US disclosed
EP-0287419-A1 Process for the electroreduction of aliphatic nitro derivatives L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 1988-10-19 EP disclosed