SCHEMBL8763540

SCHEMBL8763540

CCCCCCCCNC(=O)C1=C(C(=O)Nc2cc(OC3CCCC3)c(Cl)cc2F)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.43
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA3 P07451 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
ALOX15 P16050 2/20 0.38
NR4A2 P43354 1/20 0.38
DHODH Q02127 1/20 0.38
PDE4D Q08499 4/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL9068242 1.00 SCN9A (0.43) SCN9ACA12CA1CA2CA3
SCHEMBL8760703 1.00 SCN9A (0.43) SCN9ACA12CA1CA2CA3
SCHEMBL8760612 0.97 SCN9A (0.43) SCN9ACA12CA1CA2CA3
SCHEMBL8762797 0.93 SCN9A (0.45) SCN9APDE4DPDE4APDE4BPDE4C
SCHEMBL8762025 0.90 ALOX15 (0.36) SCN9ACA12CA1CA2CA3
SCHEMBL8761528 0.89 SCN9A (0.46) SCN9ADHODHPDE4DPDE4APDE4B
SCHEMBL8760700 0.89 SCN9A (0.44) SCN9ACA12CA1CA2CA3
SCHEMBL8761248 0.89 SCN9A (0.43) SCN9ACA12CA1CA2CA3
SCHEMBL8760669 0.88 SCN9A (0.42) SCN9ADHODHPDE4DPDE4APDE4B
SCHEMBL8761267 0.85 SCN9A (0.44) SCN9ANR4A2DHODHPDE4DPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635485-B1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 1997-06-11 EP disclosed
US-5554581-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-09-10 US disclosed
US-5506190-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-04-09 US disclosed
EP-0635485-A1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-01-25 EP disclosed