SCHEMBL9837258

SCHEMBL9837258

CCCCOC(=O)OC1=C(C)NC2=C(C(=O)OC2)C1c1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
KDM4E B2RXH2 5/20 0.50
HSD17B10 Q99714 3/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
PAX8 Q06710 1/20 0.38
ELANE P08246 1/20 0.37
LMNA P02545 4/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.35
POLB P06746 2/20 0.35

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
SCHEMBL10817411 0.91 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10MAPTRAB9A
SCHEMBL9839402 0.91 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10MAPTRAB9A
SCHEMBL9691628 0.89 KDM4E (0.47) ALDH1A1KDM4EHPGD
SCHEMBL9637845 0.87 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10MAPTGAA
SCHEMBL9839106 0.86 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10MAPTRAB9A
SCHEMBL9691230 0.86 KDM4E (0.46) ALDH1A1KDM4ELMNAHPGD
SCHEMBL9690779 0.86 KDM4E (0.46) ALDH1A1KDM4ELMNAHPGD
SCHEMBL9691684 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10MAPTRAB9A
SCHEMBL10652934 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10MAPTRAB9A
SCHEMBL9691221 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0231511-B1 4-AMINOARYLDIHYDROPYRIDINE LACTONES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BAYER AG (DE) 1991-04-10 EP disclosed
EP-0231511-A1 4-Aminoaryldihydropyridine lactones, process for their preparation and their use in medicaments BAYER AG (DE) 1987-08-12 EP disclosed