SCHEMBL8039720

SCHEMBL8039720

COC(=O)c1ccccc1NC(=O)C(Oc1ccc(OC(C)C)cc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
TDP1 Q9NUW8 2/20 0.67
ALDH1A1 P00352 11/20 0.54
KDM4E B2RXH2 7/20 0.54
MAPK1 P28482 1/20 0.52
HPGD P15428 4/20 0.51
HSD17B10 Q99714 2/20 0.51
USP2 O75604 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 2/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 3/20 0.48
MAPK10 P53779 1/20 0.48
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
CYP1A2 P05177 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL8041262 0.91 TSHR (0.64) TSHRTDP1ALDH1A1KDM4EMAPK1
SCHEMBL8027746 0.90 ALDH1A1 (0.55) TSHRTDP1ALDH1A1KDM4EMAPK1
SCHEMBL8037877 0.87 TSHR (0.59) TSHRTDP1ALDH1A1KDM4EMAPK1
SCHEMBL8039699 0.86 TSHR (0.58) TSHRTDP1ALDH1A1KDM4EMAPK1
SCHEMBL8037867 0.85 TSHR (0.57) TSHRTDP1ALDH1A1KDM4EMAPK1
SCHEMBL8037888 0.83 TSHR (0.55) TSHRTDP1ALDH1A1KDM4EMAPK1
SCHEMBL8041066 0.82 TSHR (0.54) TSHRTDP1ALDH1A1KDM4EMAPK1
SCHEMBL8037924 0.82 TSHR (0.54) TSHRTDP1ALDH1A1KDM4EMAPK1
SCHEMBL8041190 0.81 TSHR (0.53) TSHRTDP1ALDH1A1KDM4EMAPK1
SCHEMBL10340241 0.81 GAA (0.59) TSHRTDP1ALDH1A1KDM4EMAPK1

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