SCHEMBL7994474

SCHEMBL7994474

CCOC1CCSc2c1ccc(C(=O)OC)c2C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.39
DRD2 P14416 2/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
HTR5A P47898 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
CNR2 P34972 2/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
MYC P01106 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
SCHEMBL7809696 0.88 CNR2 (0.32) TSHRCNR2
SCHEMBL5956888 0.81 PTGER4 (0.40) PTGER4DRD2DRD4DRD3HTR5A
SCHEMBL5956528 0.81 PTGER4 (0.40) PTGER4DRD2DRD4DRD3HTR5A
SCHEMBL5956884 0.80 PTGER4 (0.42) PTGER4DRD2DRD4DRD3HTR5A
SCHEMBL5956737 0.80 PTGER4 (0.42) PTGER4DRD2DRD4DRD3HTR5A
SCHEMBL7980017 0.77 PTGER4 (0.39) PTGER4MEN1KMT2AHSD17B10TSHR
SCHEMBL7813391 0.76 TSHR (0.34) TSHRALDH1A1MYC
SCHEMBL7993980 0.72 PTGER4 (0.39) PTGER4MEN1KMT2AHSD17B10TSHR
SCHEMBL30574254 0.72 PTGER4 (0.39) PTGER4MEN1KMT2AHSD17B10TSHR
SCHEMBL5956763 0.72 MEN1 (0.40) PTGER4MEN1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291682-B1 FOR CONTROLLING WEEDS BASF AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed
US-6054414-A HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed