SCHEMBL8689559

SCHEMBL8689559

NC(=O)Nc1ccccc1C(=O)OCCN1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.62
▸ KDM4E B2RXH2 1/20 0.57
▸ ATM Q13315 1/20 0.56
▸ LMNA P02545 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ GAA P10253 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ BCL3 P20749 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ HPGD P15428 1/20 0.48

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
SCHEMBL11338527 0.81 ALDH1A1 (0.69) ALDH1A1KDM4EATMLMNAKMT2A
SCHEMBL31006164 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EATMLMNAKMT2A
SCHEMBL21705259 0.80 ALDH1A1 (0.67) ALDH1A1ATMLMNAKMT2AGAA
SCHEMBL11622167 0.78 ALDH1A1 (0.64) ALDH1A1ATMLMNAKMT2AGAA
SCHEMBL24177747 0.78 ALDH1A1 (0.97) ALDH1A1KDM4EATMLMNAKMT2A
SCHEMBL501899 0.78 CNR1 (0.65) ALDH1A1KDM4EATMLMNAKMT2A
SCHEMBL501720 0.76 ATM (0.76) ALDH1A1KDM4EATMLMNAKMT2A
SCHEMBL22861876 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EATMLMNAKMT2A
SCHEMBL27587581 0.75 ALDH1A1 (0.58) ALDH1A1KDM4EATMLMNAKMT2A
SCHEMBL14369843 0.75 ATM (0.74) ALDH1A1KDM4EATMLMNAKMT2A

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
US-5733867-A CHOLECYSTOKININS AND GASTRIN ANTAGONIST GLAXO WELLCOME SPA (IT) 1998-03-31 — — US claimed
US-5733867-A CHOLECYSTOKININS AND GASTRIN ANTAGONIST GLAXO WELLCOME SPA (IT) 1998-03-31 — — US disclosed
Send feedback