SCHEMBL7617142

SCHEMBL7617142

CC1(C)CCSc2c1ccc(C(=O)O)c2Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.39
RARB P10826 11/20 0.38
RARG P13631 11/20 0.38
RARA P10276 9/20 0.38
CYP26A1 O43174 2/20 0.37
CYP26B1 Q9NR63 1/20 0.37
RXRB P28702 7/20 0.36
RXRG P48443 6/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL7624159 0.85 RARA (0.41) RXRARARBRARGRARACYP26A1
SCHEMBL6971021 0.84 RXRA (0.39) RXRARARBRARGRARACYP26A1
SCHEMBL7831353 0.79 PTGDR (0.36) RXRARARBRARGRARACYP26A1
SCHEMBL9120751 0.75 RARA (0.46) RXRARARBRARGRARACYP26A1
SCHEMBL7998817 0.74 RARA (0.35) RXRARARBRARGRARAPTGS1
SCHEMBL9037686 0.72 RXRA (0.35) RXRARARBRARGRARACYP26A1
SCHEMBL7828888 0.72 RXRA (0.35) RXRARARBRARGRARACYP26A1
SCHEMBL9036741 0.71 RARA (0.34) RXRARARBRARGRARACYP26A1
SCHEMBL7619004 0.71 RARA (0.42) RXRARARBRARGRARACYP26A1
SCHEMBL7621921 0.71 RXRA (0.39) RXRARARBRARGRARACYP26A1

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-1235898-C Cyclohexenedioxythiochromanoyl derivatives BASF AG (DE) 2006-01-11 CN disclosed
US-6440899-B1 CROP HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-08-27 US disclosed
CN-1307572-A Cyclohexenondioxothio chromanoyl derivatives BASF AG (DE) 2001-08-08 CN disclosed
EP-1084116-A1 CYCLOHEXENONDIOXOTHIO CHROMANOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-03-21 EP disclosed
WO-1999057111-A1 CYCLOHEXENONDIOXOTHIO CHROMANOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-11-11 WO disclosed