SCHEMBL11190829

SCHEMBL11190829

CC(C(=O)O)c1cccc2c1Sc1ccccc1S2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.43
BCHE P06276 6/20 0.42
DRD3 P35462 2/20 0.42
HTR1A P08908 1/20 0.42
ADRB3 P13945 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
HTR6 P50406 1/20 0.42
PTGS2 P35354 7/20 0.40
OPRK1 P41145 1/20 0.40
PDE4D Q08499 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
MMP16 P51512 1/20 0.40

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
SCHEMBL11826206 0.83 SRC (0.41) BCHEDRD3HTR1AADRB3HTR2A
SCHEMBL16812875 0.78 PTGS1 (0.41) BCHEDRD3HTR1AHTR2AHTR2C
SCHEMBL6262678 0.76 ALDH1A1 (0.46) BCHEDRD3HTR1AADRB3HTR2A
SCHEMBL2204495 0.75 PTGS2 (0.56) CXCL8DRD3HTR2CPTGS2MMP1
SCHEMBL11204698 0.74 PTGS2 (0.47) CXCL8BCHEDRD3HTR1AADRB3
SCHEMBL11195556 0.74 NOX1 (0.44) CXCL8BCHEDRD3HTR1AADRB3
SCHEMBL18797642 0.74 PTGS2 (0.50) CXCL8DRD3HTR2CPTGS2MMP1
SCHEMBL11818814 0.71 PTGS2 (0.60) CXCL8BCHEDRD3HTR1AADRB3
SCHEMBL27295189 0.71 BCHE (0.46) BCHEMMP8MAPTKDM4EALDH1A1
SCHEMBL12856670 0.70 LMNA (0.44) BCHEDRD3HTR1AHTR2AHTR2C

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
EP-0068563-A2 Heterocyclic acetic acid compounds and compositions for treating bone diseases THE PROCTER & GAMBLE COMPANY (US) 1983-01-05 EP disclosed