SCHEMBL10539251

SCHEMBL10539251

CCOC(=O)CCNC=C(C(=O)OCC)C(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
DHODH Q02127 3/20 0.35
GAA P10253 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 1/20 0.34
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL10539245 1.00 ALDH1A1 (0.39) ALDH1A1CYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL5262223 0.88 CYP2D6 (0.40) ALDH1A1CYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL5262226 0.88 CYP2D6 (0.40) ALDH1A1CYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL29281063 0.87 CYP2D6 (0.43) ALDH1A1CYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL30542821 0.86 CYP2D6 (0.39) ALDH1A1CYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL26363230 0.86 CYP2D6 (0.39) ALDH1A1CYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL1345404 0.85 SMN1; SMN2 (0.38) ALDH1A1CYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL1345402 0.85 SMN1; SMN2 (0.38) ALDH1A1CYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL8472008 0.82 MAPT (0.41) ALDH1A1CYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL10541861 0.81 ALDH1A1 (0.38) ALDH1A1CYP2D6SMN1; SMN2MEN1KMT2A

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
US-4870182-A 4-Hydroxy-quinoline-3-carboxylic BAYER AKTIENGESELLSCHAFT (DE) 1989-09-26 US disclosed
US-4804760-A Process for the preparation of 4-hydroxy-quinoline-3-carboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1989-02-14 US disclosed
EP-0245690-A1 Process for the preparation of 4-hydroxy-quinoline-3-carboxylic acids BAYER AG (DE) 1987-11-19 EP disclosed