SCHEMBL8933477

SCHEMBL8933477

Cc1ccccc1P(=O)(O)OC1CC(C)CCC1C(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
LMNA P02545 4/20 0.60
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.48
KCNA5 P22460 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
NFE2L2 Q16236 1/20 0.44
P2RX4 Q99571 1/20 0.44
CYP19A1 P11511 2/20 0.42
NPSR1 Q6W5P4 4/20 0.42
MITF O75030 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
APAF1 O14727 1/20 0.42

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
SCHEMBL8933475 0.89 ALDH1A1 (0.62) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL28143700 0.85 ALDH1A1 (0.74) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL16213912 0.84 ALDH1A1 (0.67) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL9328015 0.77 ALDH1A1 (0.62) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL28434161 0.76 ALDH1A1 (0.78) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL9484139 0.76 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL2937641 0.76 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL2935357 0.76 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL16213913 0.75 ALDH1A1 (0.76) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL16213899 0.74 ALDH1A1 (0.70) ALDH1A1LMNAMEN1KMT2AKDM4E

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
WO-1996024601-A1 COMPLEXES, PROCESSES FOR THEIR PREPARATION AND THEIR USE UNIVERSITY COLLEGE DUBLIN (IE) 1996-08-15 WO claimed
WO-1996024601-A1 COMPLEXES, PROCESSES FOR THEIR PREPARATION AND THEIR USE UNIVERSITY COLLEGE DUBLIN (IE) 1996-08-15 WO disclosed