SCHEMBL3484494

SCHEMBL3484494

NC(CC(=O)O)C(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.49
▸ SLC1A3 P43003 2/20 0.40
▸ SLC1A2 P43004 2/20 0.40
▸ SLC1A1 P43005 2/20 0.40
▸ HTR7 P34969 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MMP12 P39900 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ DRD2 P14416 3/20 0.38
▸ DRD4 P21917 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ CYP1A2 P05177 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ LTA4H P09960 2/20 0.34
▸ SRD5A2 P31213 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9188893 1.00 PNMT (0.49) PNMTSLC1A3SLC1A2SLC1A1HTR7
SCHEMBL6810950 0.90 PNMT (0.49) PNMTSLC1A3SLC1A2SLC1A1HTR7
SCHEMBL9188888 0.90 PNMT (0.49) PNMTSLC1A3SLC1A2SLC1A1HTR7
SCHEMBL6807840 0.89 PNMT (0.48) PNMTSLC1A3SLC1A2SLC1A1HTR7
SCHEMBL6807832 0.89 PNMT (0.48) PNMTSLC1A3SLC1A2SLC1A1HTR7
Bromide SCHEMBL15671137 0.86 PNMT (0.54) PNMTSLC1A3SLC1A2SLC1A1HTR7
SCHEMBL8190225 0.86 PNMT (0.50) PNMTSLC1A3SLC1A2SLC1A1HTR7
SCHEMBL28322720 0.86 PNMT (0.45) PNMTSLC1A3SLC1A2SLC1A1HTR7
SCHEMBL4970480 0.85 PNMT (0.49) PNMTSLC1A3SLC1A2SLC1A1HTR7
SCHEMBL9697577 0.85 PNMT (0.44) PNMTSLC1A3SLC1A2SLC1A1HTR7

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-20100009860-A1 Device and method for analysis of interactions between biomolecules MAX-PLANCK-GESSELLSCHAFT ZUR FODERUNG DER WISSENSCHAFTEN E.V. (DE) 2010-01-14 — — US disclosed
EP-0538399-A4 — — 1994-05-04 — — EP disclosed
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