SCHEMBL7979908

SCHEMBL7979908

CSc1c(C(=O)O)ccc2c1OCCC2OC(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4C Q9H3R0 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
SCHEMBL7994484 0.86 TSHR (0.39) TSHRALDH1A1KDM4ELMNAHSD17B10
SCHEMBL7980027 0.83 TSHR (0.35) TSHRKDM4ELMNAKDM4C
SCHEMBL27504227 0.80 MAP3K14 (0.36) TSHRALDH1A1KDM4ELMNAHSD17B10
SCHEMBL5956782 0.72 GAA (0.36)
SCHEMBL5956519 0.72 GAA (0.36)
SCHEMBL6203050 0.69 KDM4E (0.44) TSHRALDH1A1KDM4ELMNAHSD17B10
SCHEMBL5956896 0.69 TSHR (0.37) TSHRALDH1A1KDM4ELMNAHSD17B10
SCHEMBL8304938 0.69 TSHR (0.41) TSHRPOLBALDH1A1KDM4EHSD17B10
SCHEMBL5956540 0.69 TSHR (0.37) TSHRALDH1A1KDM4ELMNAHSD17B10
SCHEMBL5956740 0.68 TSHR (0.36) TSHRALDH1A1KDM4ELMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1100052-C 2-cyclohexane-1, 3-dione benzoyl derivatives BASF AG (DE) 2003-01-29 CN disclosed
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
CN-1194644-A Pyrazol-4-yl-benzoyl derivatives and their use as herbicides BASF AG (DE) 1998-09-30 CN disclosed
CN-1194641-A 2-cyclohexane-1,3-dione benzoyl derivatives BASF AG (DE) 1998-09-30 CN disclosed