SCHEMBL7622103

SCHEMBL7622103

Cc1c(C(=O)O)ccc2c1S(=S=O)CCC2(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.35
RXRB P28702 14/20 0.35
RXRG P48443 13/20 0.35
RARB P10826 6/20 0.35
RARG P13631 6/20 0.35
RARA P10276 5/20 0.35
MEN1 O00255 1/20 0.34
CYP26A1 O43174 1/20 0.34
ABCB11 O95342 1/20 0.34
ESR1 P03372 1/20 0.34
PGR P06401 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL7618976 0.88
SCHEMBL7675069 0.86 CYP3A4 (0.34) RXRARXRBRXRGMEN1CYP26A1
SCHEMBL7621926 0.85 RXRA (0.36) RXRARXRBRXRGRARBRARG
SCHEMBL7617943 0.81 HPD (0.31)
SCHEMBL7675084 0.77 RXRA (0.34) RXRARXRBRXRGRARBRARG
SCHEMBL7623305 0.73 CYP19A1 (0.34)
SCHEMBL7670823 0.72 CYP3A4 (0.34) CYP26A1PPARG
SCHEMBL7992007 0.71 SLC22A6 (0.33)
SCHEMBL6971021 0.66 RXRA (0.39) RXRARXRBRXRGRARBRARG
SCHEMBL6981388 0.65 RXRA (0.38) RXRARXRBRXRGRARBRARG

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-6440899-B1 CROP HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-08-27 US disclosed
US-6326333-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-12-04 US disclosed