SCHEMBL7994484

SCHEMBL7994484

COC1CCOc2c1ccc(C(=O)O)c2SC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
KDM4C Q9H3R0 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AKR1C3 P42330 2/20 0.31
AKR1C2 P52895 2/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7979908 0.86 TSHR (0.35) TSHRKDM4CKDM4EALDH1A1LMNA
SCHEMBL7980027 0.86 TSHR (0.35) TSHRKDM4CKDM4ELMNA
SCHEMBL27504227 0.83 MAP3K14 (0.36) TSHRKDM4CKDM4EALDH1A1LMNA
SCHEMBL8304938 0.80 TSHR (0.41) TSHRKDM4CKDM4EALDH1A1HSD17B10
SCHEMBL5956782 0.75 GAA (0.36)
SCHEMBL5956519 0.75 GAA (0.36)
SCHEMBL5956896 0.74 TSHR (0.37) TSHRKDM4EALDH1A1LMNAHSD17B10
SCHEMBL5956540 0.74 TSHR (0.37) TSHRKDM4EALDH1A1LMNAHSD17B10
SCHEMBL5956890 0.73 TSHR (0.36) TSHRKDM4EALDH1A1LMNAHSD17B10
SCHEMBL5956740 0.73 TSHR (0.36) TSHRKDM4EALDH1A1LMNAHSD17B10

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
US-6291682-B1 FOR CONTROLLING WEEDS BASF AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed