SCHEMBL8311112

SCHEMBL8311112

CCC(CC)(CO)CCCCS(N)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.34
ARG1 P05089 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
SCHEMBL8313149 0.94 CA2 (0.31) CA2ARG1
SCHEMBL8310142 0.86 ARG1 (0.32) ARG1
SCHEMBL3046425 0.78 CA2 (0.33) CA2
SCHEMBL3045476 0.77 GAA (0.36) CA2
SCHEMBL3043082 0.77 CA2 (0.32) CA2
SCHEMBL13322513 0.77 CA2 (0.32) CA2
SCHEMBL3037355 0.76 MEN1 (0.30) CA2
SCHEMBL8314520 0.76 FFAR1 (0.34) CA2ARG1
SCHEMBL3044493 0.75 CA2 (0.32) CA2
SCHEMBL3048047 0.75 CYP4F2 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0562439-B1 Triazolopyridazines as antioasthmatics TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-09 EP disclosed
EP-0562440-B1 Imidazopyridazines as antiasthmatics TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-12-23 EP disclosed
US-5491145-A ANTIASTHMA, ANTI-PLATELET ACTIVATING FACTOR BRONCHOCONSTRICTION-INHIBITING AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-13 US disclosed
US-5482939-A ANTI-PLATELET ACTIVATING FACTOR ACTIVITIES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-09 US disclosed
US-5389633-A ANTIASTHMATIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0562439-A1 Triazolopyridazines as antioasthmatics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-29 EP disclosed
EP-0562440-A1 Imidazopyridazines as antiasthmatics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-29 EP disclosed