SCHEMBL16498201

SCHEMBL16498201

CC(C)OCCOc1ccc(Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
GABRA5 P31644 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GBA1 P04062 1/20 0.36
LMNA P02545 1/20 0.35
LSS P48449 1/20 0.33
ATM Q13315 1/20 0.33
PTGES O14684 4/20 0.33
GAA P10253 1/20 0.33
APP P05067 5/20 0.32
ACACB O00763 1/20 0.32
MAPT P10636 1/20 0.31
SNCA P37840 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL22732689 0.81 GABRA5 (0.44) KDM4EGABRA5GBA1LSSMAPT
SCHEMBL256028 0.80 PIK3CD (0.43) KDM4EGABRA5ALDH1A1GBA1LSS
SCHEMBL20006272 0.79 KDM4E (0.39) KDM4EGABRA5GBA1LSS
SCHEMBL456392 0.78 KDM4E (0.46) KDM4EGABRA5GBA1LMNALSS
SCHEMBL9082771 0.77 KDM4E (0.43) KDM4EGABRA5ALDH1A1GBA1LSS
SCHEMBL18810072 0.77 KDM4E (0.49) KDM4EALDH1A1LMNAPTGESAPP
SCHEMBL3104534 0.77 KDM4E (0.44) KDM4EGABRA5GBA1LMNAMAPT
SCHEMBL10154541 0.77 GABRA5 (0.42) KDM4EGABRA5ALDH1A1GBA1ATM
SCHEMBL20745192 0.76 PIK3CD (0.40) KDM4EGABRA5ALDH1A1GBA1LSS
SCHEMBL18229345 0.76 PIK3CD (0.40) KDM4EGABRA5ALDH1A1GBA1LSS

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
WO-2011151434-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed