SCHEMBL8041190

SCHEMBL8041190

C=CCCOc1ccc(OC(C(=O)Nc2ccccc2C(=O)OC)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 10/20 0.48
KDM4E B2RXH2 7/20 0.48
HSD17B10 Q99714 4/20 0.48
MAPK10 P53779 1/20 0.48
MAPK1 P28482 1/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
MAPT P10636 2/20 0.43
HPGD P15428 4/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.42
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8027750 0.91 PLK1 (0.45) TSHRTDP1ALDH1A1KDM4EMAPK1
SCHEMBL8037867 0.87 TSHR (0.57) TSHRTDP1ALDH1A1KDM4EHSD17B10
SCHEMBL8039699 0.84 TSHR (0.58) TSHRTDP1ALDH1A1KDM4EHSD17B10
SCHEMBL8041262 0.82 TSHR (0.64) TSHRTDP1ALDH1A1KDM4EHSD17B10
SCHEMBL8039720 0.81 TSHR (0.67) TSHRTDP1ALDH1A1KDM4EHSD17B10
SCHEMBL8037877 0.81 TSHR (0.59) TSHRTDP1ALDH1A1KDM4EHSD17B10
SCHEMBL8038282 0.79 PLK1 (0.50) TSHRTDP1ALDH1A1KDM4EMAPK1
SCHEMBL8041187 0.76 ALDH1A1 (0.52) TSHRTDP1ALDH1A1KDM4EHSD17B10
SCHEMBL8037888 0.75 TSHR (0.55) TSHRTDP1ALDH1A1KDM4EHSD17B10
SCHEMBL8041066 0.74 TSHR (0.54) TSHRTDP1ALDH1A1KDM4EHSD17B10

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-0806412-B1 BENZENE DERIVATIVES TEIJIN LTD (JP) 2000-04-05 EP disclosed