SCHEMBL7997428

SCHEMBL7997428

Cc1c(C(=O)O)ccc2c1SCCC2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
HTT P42858 1/20 0.38
SLC22A6 Q4U2R8 2/20 0.36
SLC22A8 Q8TCC7 2/20 0.36
VHL P40337 1/20 0.34
ELOC Q15369 1/20 0.34
ELOB Q15370 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.31
FTO Q9C0B1 1/20 0.31
TSHR P16473 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 2/20 0.31
MAPK1 P28482 1/20 0.31
MMP14 P50281 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TYMS P04818 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
SCHEMBL7997554 0.84 SLC22A6 (0.35) KDM4ESLC22A6SLC22A8ALDH1A1CYP1A2
SCHEMBL7813372 0.78 KDM4E (0.38) KDM4EHTTVHLELOCELOB
SCHEMBL7325775 0.78 ALDH1A1 (0.41) KDM4EVHLELOCELOBALDH1A1
SCHEMBL9067975 0.74 MAPT (0.35) KDM4ESLC22A6SLC22A8ALDH1A1CYP1A2
SCHEMBL7979978 0.74 MAPT (0.35) KDM4ESLC22A6SLC22A8ALDH1A1CYP1A2
SCHEMBL10164854 0.73 SLC22A8 (0.49) KDM4ESLC22A6SLC22A8ALDH1A1CYP1A2
SCHEMBL7620903 0.73 MCL1 (0.36) KDM4EALDH1A1CYP1A2TSHRMAPT
SCHEMBL7501617 0.73 KDM4E (0.40) KDM4EHTTVHLELOCELOB
SCHEMBL15556851 0.71 SLC22A6 (0.43) HTTSLC22A6SLC22A8POLBSMN1; SMN2
SCHEMBL7841595 0.71 KDM4E (0.36) KDM4EHTTALDH1A1HCAR2MAPT

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