SCHEMBL9713725

SCHEMBL9713725

CCOc1c(CC)c(-c2ccccc2)c2c(OC(C)=O)c(Cl)ccc2c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
BACE1 P56817 2/20 0.36
ACLY P53396 1/20 0.34
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL9643170 0.79 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9642624 0.79 PREP (0.36) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9642556 0.78 HPGD (0.37) KDM4EALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL9641858 0.74 BACE1 (0.48) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL10502752 0.73 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9643184 0.72 MRGPRX4 (0.42) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9628361 0.69 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL28380353 0.67 POLB (0.38) KDM4EALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL9641997 0.67 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL11063523 0.66 KDM4E (0.36) PDE4DKDM4EALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed