SCHEMBL7085752

SCHEMBL7085752

COC#COc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.48
LTA4H P09960 4/20 0.41
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
KCNA3 P22001 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
MAOA P21397 1/20 0.32
PTGS1 P23219 1/20 0.32
TRPA1 O75762 1/20 0.32
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MAOB P27338 1/20 0.31

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
SCHEMBL9421959 0.87 LTA4H (0.50) CA4LTA4HTSHRLMNATDP1
SCHEMBL237878 0.77 CA4 (0.43) CA4LTA4HTSHRLMNAKCNA3
SCHEMBL14077807 0.75 LTA4H (0.39) CA4LTA4HTSHRLMNATDP1
SCHEMBL6572639 0.75 LTA4H (0.42) CA4LTA4HTSHRLMNATDP1
Benzene SCHEMBL27973485 0.74 CA4 (0.32) CA4TSHR
SCHEMBL7391389 0.72 LTA4H (0.41) CA4LTA4HTSHRTDP1KCNA3
SCHEMBL14579482 0.72 LTA4H (0.41) CA4LTA4HTSHRTDP1KCNA3
SCHEMBL8214072 0.72 LTA4H (0.41) CA4LTA4HTSHRTDP1KCNA3
SCHEMBL479411 0.72 LTA4H (0.41) CA4LTA4HTSHRLMNATDP1
SCHEMBL15234422 0.72 ELANE (0.40) TSHRLMNATDP1MAPTPTGS1

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
EP-1220844-B1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-04-09 EP claimed
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP claimed