SCHEMBL6579955

SCHEMBL6579955

C=CCOc1ccc(OC2CCCCO2)c2c1CCC(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.40
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
PDE4B Q07343 3/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HTR2C P28335 3/20 0.32
HTR2A P28223 2/20 0.32
HTR2B P41595 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
GPR174 Q9BXC1 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
SCHEMBL6577406 0.96 PTPN1 (0.40) PTPN1NPC1MAPTRAB9APDE4B
SCHEMBL6579597 0.80 PDE4B (0.34) PTPN1PDE4BCA12CA1CA9
SCHEMBL17543559 0.78 PTPN1 (0.34) PTPN1PDE4BPDE4APDE4CPDE4D
SCHEMBL6582078 0.78 PDE4B (0.38) PTPN1PDE4B
SCHEMBL17542911 0.78 PTPN1 (0.34) PTPN1PDE4BHTR2A
SCHEMBL12559624 0.74 ADRA2A (0.41) MAPTPDE4BPDE4APDE4CPDE4D
SCHEMBL6581115 0.72 ADRB3 (0.37) PDE4BPDE4APDE4CPDE4DADRA2A
SCHEMBL6867371 0.71 ALDH1A1 (0.56) PTPN1MAPTCA12CA1CA9
SCHEMBL6582027 0.71 PTGS1 (0.37) PDE4BPDE4APDE4CPDE4DHTR2C
SCHEMBL7851986 0.69 PTPN1 (0.43) PTPN1

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-1005458-B1 CARBOSTYRIL DERIVATIVES FOR INHIBITING SKIN ERYTHEMA AND/OR SKIN PIGMENTATION OTSUKA PHARMA CO LTD (JP) 2004-10-13 EP disclosed
US-6133264-A Carbostyril derivatives for inhibiting skin erythema and/or skin pigmentation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed