SCHEMBL7678266

SCHEMBL7678266

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 5/20 0.32
TDP1 Q9NUW8 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 2/20 0.31
PDK2 Q15119 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
SCHEMBL7675084 0.90 RXRA (0.34)
SCHEMBL7676412 0.80
SCHEMBL7678262 0.74 ALDH1A1 (0.38) ALDH1A1TSHRTDP1L3MBTL1ESR1
SCHEMBL7675081 0.62 RXRA (0.35) CYP3A4
SCHEMBL7816316 0.60 MMP2 (0.31)
SCHEMBL112063 0.60 ALDH1A1 (1.00) ALDH1A1TSHRTDP1L3MBTL1ESR1
SCHEMBL9504146 0.60 ALDH1A1 (0.70) ALDH1A1TSHRTDP1L3MBTL1ESR1
SCHEMBL19066309 0.60 ALDH1A1 (1.00) ALDH1A1TSHRTDP1L3MBTL1ESR1
SCHEMBL10569979 0.59 ALDH1A1 (0.65) ALDH1A1TSHRTDP1L3MBTL1ESR1
SCHEMBL6043222 0.59 ALDH1A1 (0.69) ALDH1A1TSHRTDP1L3MBTL1ESR1

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