SCHEMBL8602155

SCHEMBL8602155

CCOC(=O)C1CCC(C(=O)Nc2ccc(S(=O)(=O)NC)cc2C(=O)NCc2ccc(OC)c(Cl)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
LMNA P02545 2/20 0.46
CTSD P07339 2/20 0.43
KDM4E B2RXH2 1/20 0.42
NLRP3 Q96P20 1/20 0.42
KMT2A Q03164 2/20 0.42
PDE11A Q9HCR9 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8602151 1.00 POLB (0.49) POLBLMNACTSDKDM4ENLRP3
SCHEMBL8416857 0.91 NLRP3 (0.45) POLBLMNACTSDNLRP3KMT2A
SCHEMBL8416853 0.91 NLRP3 (0.45) POLBLMNACTSDNLRP3KMT2A
SCHEMBL8603237 0.85 POLB (0.43) POLBLMNAKDM4EKMT2APDE11A
SCHEMBL8603233 0.85 POLB (0.43) POLBLMNAKDM4EKMT2APDE11A
SCHEMBL8600136 0.81 LMNA (0.44) POLBLMNAKDM4EPDE11AHTT
SCHEMBL8600133 0.81 LMNA (0.44) POLBLMNAKDM4EPDE11AHTT
SCHEMBL8299687 0.81 LMNA (0.44) POLBLMNAKDM4EKMT2APDE11A
SCHEMBL8299688 0.81 LMNA (0.44) POLBLMNAKDM4EKMT2APDE11A
SCHEMBL8301788 0.81 POLB (0.46) POLBLMNAKDM4EKMT2APDE11A

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
US-5716993-A PHOSPHODIESTERASE ENZYME INHIBITOR FOR TREATING CARDIOVASCULAR DISORDER, ANGINA PECTORIS, HYPERTENSION, ASTHMA EISAI CO., LTD. (JP) 1998-02-10 US disclosed