SCHEMBL8886191

SCHEMBL8886191

COc1ccc(-c2ccc(C(=N)N)cc2)cc1C(=O)N(C)C1CCC(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.41
PDE4B Q07343 8/20 0.41
PDE4C Q08493 8/20 0.41
PDE4D Q08499 8/20 0.41
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
LTB4R Q15722 2/20 0.37
TSHR P16473 1/20 0.36
APEX1 P27695 1/20 0.36
NEK2 P51955 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
NQO2 P16083 1/20 0.35

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
SCHEMBL8886068 0.91 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPRSS1
SCHEMBL9185327 0.86 ITGB3 (0.38) PRSS1PRSS2PRSS3TSHRITGB3
SCHEMBL8887118 0.83 USP30 (0.44) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL9094547 0.83 USP30 (0.44) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL8410563 0.80 KDM1A (0.48) PDE4BPRSS1PRSS2PRSS3F2
SCHEMBL8885229 0.80 F2 (0.40) PRSS1PRSS2PRSS3F2F10
SCHEMBL8949055 0.77 ITGB3 (0.38) PRSS1PRSS2PRSS3TSHRNEK2
SCHEMBL8949064 0.77 ITGB3 (0.38) PRSS1PRSS2PRSS3TSHRNEK2
SCHEMBL8949416 0.75 ITGB3 (0.39) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL8949414 0.75 ITGB3 (0.39) PRSS1PRSS2PRSS3ITGB3ITGA2B

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
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed