SCHEMBL11565647

SCHEMBL11565647

O=C(O)c1ccc(C(=O)O)c(SCc2cccc(Cl)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.64
MRGPRX4 Q96LA9 1/20 0.64
PTPRC P08575 5/20 0.59
PTPRG P23470 5/20 0.59
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
RXRG P48443 2/20 0.50
NR4A2 P43354 1/20 0.49
KMT2A Q03164 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
POLB P06746 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ABL1 P00519 1/20 0.45
SRC P12931 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.44
DCLRE1B Q9H816 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL11567962 0.87 PTPRG (0.51) ARMRGPRX4PTPRCPTPRGKMT2A
SCHEMBL13802463 0.86 PTPRG (0.70) ARMRGPRX4PTPRCPTPRGKMT2A
SCHEMBL11568053 0.83 PTPRC (0.52) ARMRGPRX4PTPRCPTPRGRXRA
SCHEMBL11568611 0.82 CYP1A2 (0.53) ARMRGPRX4SMN1; SMN2TAS2R14NPC1
SCHEMBL693069 0.81 RXRA (0.57) ARMRGPRX4PTPRCPTPRGRXRA
SCHEMBL11822185 0.81 PTPRC (0.55) ARMRGPRX4PTPRCPTPRGKMT2A
SCHEMBL13802466 0.80 MRGPRX4 (0.63) ARMRGPRX4PTPRCPTPRGRXRA
SCHEMBL22469767 0.78 MRGPRX4 (1.00) ARMRGPRX4PTPRCPTPRGNR4A2
SCHEMBL31568435 0.78 MRGPRX4 (1.00) ARMRGPRX4PTPRCPTPRGNR4A2
SCHEMBL7785082 0.75 AR (0.64) ARMRGPRX4PTPRCPTPRGRXRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005055-A2 6,11-Dihydrodibenzo-thiepin-11-ones and their S-oxides, methods for their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1979-10-31 EP disclosed
EP-0003422-A1 Novel 4-(8X-6,11-dihydrodibenzo-(b,e)-thiepin-11-one-3-yl)-4-oxobutyric acids, methods of preparation, compositions and uses thereof SYNTEX (U.S.A.) INC. (US) 1979-08-08 EP disclosed
US-4130654-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, FRIBRINOLYTIC, MUSCLE RELAXANT SYNTEX (U.S.A.) INC. (US) 1978-12-19 US disclosed