SCHEMBL630196

SCHEMBL630196

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ERN1 O75460 6/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
MTNR1A P48039 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
DPP4 P27487 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MAPT P10636 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
SCHEMBL31455897 0.81 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL1187473 0.73 ALDH1A1 (0.65) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL30163502 0.71 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRTDP1LMNA
SCHEMBL7401545 0.71 ALDH1A1 (0.69) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL629627 0.71 NPC1 (0.60) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL29933323 0.71 KDM4E (0.57) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL3375102 0.71 KDM4E (0.57) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL630195 0.70 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL17632769 0.70 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL16750374 0.70 ALDH1A1 (0.38) ALDH1A1KDM4ETDP1ERN1LMNA

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