SCHEMBL7994481

SCHEMBL7994481

CCOC1CCOc2c1ccc(C(=O)OC)c2SC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
KDM4E B2RXH2 6/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
HTR5A P47898 1/20 0.32
ALDH1A1 P00352 4/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 2/20 0.32
CNR2 P34972 1/20 0.32
PTGER4 P35408 1/20 0.31
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7980027 0.88 TSHR (0.35) TSHRKDM4ELMNACNR2
SCHEMBL5956540 0.82 TSHR (0.37) TSHRKDM4ESMN1; SMN2ALDH1A1TDP1
SCHEMBL5956896 0.82 TSHR (0.37) TSHRKDM4ESMN1; SMN2ALDH1A1TDP1
SCHEMBL5956740 0.81 TSHR (0.36) TSHRKDM4ESMN1; SMN2ALDH1A1TDP1
SCHEMBL5956890 0.81 TSHR (0.36) TSHRKDM4ESMN1; SMN2ALDH1A1TDP1
SCHEMBL7994484 0.77 TSHR (0.39) TSHRKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL5956757 0.74 GAA (0.36) TSHR
SCHEMBL5956845 0.74 GAA (0.36) TSHR
SCHEMBL7994063 0.69 LTB4R (0.37) TSHRKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL7619014 0.67 CA12 (0.33) TSHRKDM4ESMN1; SMN2ALDH1A1TDP1

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