SCHEMBL630195

SCHEMBL630195

COc1cc(C(C)C(N)=O)c(Cl)cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ERN1 O75460 9/20 0.41
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
DPP4 P27487 3/20 0.36
MAPT P10636 1/20 0.35
CXCL8 P10145 1/20 0.35
PRKDC P78527 1/20 0.35
GAA P10253 1/20 0.35
GPR55 Q9Y2T6 1/20 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
SCHEMBL1494390 0.82 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL18319260 0.75 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL1187473 0.74 ALDH1A1 (0.65) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL7401545 0.72 ALDH1A1 (0.69) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL1494350 0.72 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL3375102 0.72 KDM4E (0.57) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL29933323 0.72 KDM4E (0.57) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL629627 0.72 NPC1 (0.60) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL17632769 0.71 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL630196 0.70 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRTDP1ERN1

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
EP-2419409-A1 PROCESS FOR THE PREPARATION OF A BIPHENYL-2-YLCARBAMIC ACID ESTER Glaxo Group Limited (GB) 2012-02-22 EP disclosed