SCHEMBL7946476

SCHEMBL7946476

CCOC(=O)C1CCCCN1C(=O)c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
FKBP1A P62942 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 3/20 0.48
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RECQL P46063 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3456792 0.87 ALDH1A1 (0.58) ALDH1A1FKBP1AMEN1KMT2AKDM4E
SCHEMBL95898 0.86 ALDH1A1 (0.60) ALDH1A1FKBP1AMEN1KMT2AKDM4E
SCHEMBL2157261 0.86 GAA (0.64) ALDH1A1FKBP1AMEN1KMT2AKDM4E
SCHEMBL2157294 0.83 ALDH1A1 (0.47) ALDH1A1FKBP1AMEN1KMT2AKDM4E
SCHEMBL21715104 0.83 ALDH1A1 (0.63) ALDH1A1FKBP1AMEN1KMT2AL3MBTL1
SCHEMBL13804351 0.81 GAA (0.53) KDM4EGAAHPGDL3MBTL1RECQL
SCHEMBL7585371 0.81 ALDH1A1 (0.65) ALDH1A1FKBP1AMEN1KMT2AKDM4E
SCHEMBL13468136 0.81 ALDH1A1 (0.60) ALDH1A1FKBP1AMEN1KMT2AHPGD
SCHEMBL7960313 0.80 TDP1 (0.61) ALDH1A1KDM4EGAAHPGDL3MBTL1
SCHEMBL6291342 0.80 FKBP1A (0.57) FKBP1A

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-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed