SCHEMBL8638441

SCHEMBL8638441

COc1ccc(/C(C#N)=C/C(=O)O)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA7 P43166 1/20 0.56
TPMT P51580 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
PDE4A P27815 9/20 0.53
PDE4C Q08493 9/20 0.53
PDE4D Q08499 9/20 0.53
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL8638085 1.00 PDE4B (0.56) PDE4BCA12CA1CA2CA4
SCHEMBL5328419 0.88 HTT (0.58) PDE4BCA12CA1CA2CA4
SCHEMBL11801451 0.88 TUBB1 (0.50) PDE4BCA12CA1CA2CA4
SCHEMBL11758912 0.88 PDE4B (0.59) PDE4BCA12CA1CA2CA4
SCHEMBL8359619 0.87 PDE4B (0.60) PDE4BCA12CA1CA2CA4
SCHEMBL9122786 0.83 PKM (0.54) CA12CA1CA2CA4CA6
SCHEMBL8646387 0.83 TUBB4A (0.56) PDE4BTPMTPDE4APDE4CPDE4D
SCHEMBL8364475 0.82 PDE4B (0.54) PDE4BCA12CA1CA2CA4
SCHEMBL8638681 0.82 PDE4B (0.51) PDE4BCA12CA1CA2CA4
SCHEMBL8359659 0.82 HPGD (0.58) PDE4BCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0855387-A1 2-ACYLAMINOBENZAMIDE DERIVATIVES AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY THE SUPERMULTIPLICATION OF VASCULAR INTIMAL CELLS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed