SCHEMBL11809097

SCHEMBL11809097

CC1(C)COc2ccc(C(O)CNS(=O)(=O)O)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.40
RARG P13631 3/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
RARA P10276 2/20 0.37
RXRA P19793 1/20 0.37
NOTUM Q6P988 2/20 0.36
ACACB O00763 1/20 0.36
ADRB3 P13945 7/20 0.35
PMP22 Q01453 1/20 0.34
ADRB2 P07550 3/20 0.33
LMNA P02545 2/20 0.33
ADRB1 P08588 2/20 0.33
AOC3 Q16853 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP26A1 O43174 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP26B1 Q9NR63 1/20 0.32

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
SCHEMBL11811521 0.85 RARB (0.43) RARBRARGPTGS1PTGS2RARA
SCHEMBL11806318 0.83 RARB (0.39) RARBRARGPTGS1PTGS2RARA
SCHEMBL11809311 0.83 RARB (0.39) RARBRARGPTGS1PTGS2RARA
SCHEMBL11802938 0.81 TP53 (0.37) RARBRARGPTGS1PTGS2ACACB
SCHEMBL11810007 0.81 RARB (0.38) RARBRARGPTGS1PTGS2RARA
SCHEMBL11806107 0.80 TP53 (0.44) LMNA
SCHEMBL11807823 0.80 MEN1 (0.46) LMNAMEN1KMT2A
SCHEMBL5656267 0.79 PTGS1 (0.42) RARBRARGPTGS1PTGS2RARA
SCHEMBL987763 0.77 RARB (0.41) RARBRARGPTGS1PTGS2RARA
SCHEMBL5659590 0.74 NOTUM (0.44) RARBRARGPTGS1PTGS2RARA

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-3946048-A HERBICIDES BASF AKTIENGESELLSCHAFT (DT) 1976-03-23 US claimed
US-3946048-A HERBICIDES BASF AKTIENGESELLSCHAFT (DT) 1976-03-23 US disclosed