SCHEMBL7678262

SCHEMBL7678262

CCCOCc1c(C(=O)OCCC)ccc2c1S(=O)(=O)CCC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
TSHR P16473 5/20 0.34
TDP1 Q9NUW8 3/20 0.34
ESR1 P03372 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDR P35968 1/20 0.34
PDK2 Q15119 1/20 0.34
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HSD17B10 Q99714 3/20 0.31
CYP3A4 P08684 2/20 0.31
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
RXRA P19793 2/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
KDM4E B2RXH2 4/20 0.30
MAOB P27338 1/20 0.30
POLB P06746 2/20 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
SCHEMBL7675081 0.89 RXRA (0.35) CYP3A4RXRARXRBRXRG
SCHEMBL7816316 0.84 MMP2 (0.31) RXRA
SCHEMBL7807455 0.80 RXRA (0.32) RXRARXRBRXRG
SCHEMBL7678266 0.74 ALDH1A1 (0.39) ALDH1A1TSHRTDP1ESR1CHRM1
SCHEMBL7675064 0.68 CYP3A4 (0.36) ALDH1A1TSHRPDK2LMNAL3MBTL1
SCHEMBL6981388 0.66 RXRA (0.38) ESR1CHRM1SLC6A2CYP3A4RXRA
SCHEMBL7675084 0.62 RXRA (0.34) RXRARXRBRXRG
SCHEMBL9504146 0.61 ALDH1A1 (0.70) ALDH1A1TSHRTDP1ESR1CHRM1
SCHEMBL7890058 0.61 TSHR (0.40) ALDH1A1TSHRTDP1PDK2HSD17B10
SCHEMBL6043222 0.61 ALDH1A1 (0.69) ALDH1A1TSHRTDP1ESR1CHRM1

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-6352959-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-03-05 US disclosed