SCHEMBL7381832

SCHEMBL7381832

CCc1nn(CCCCCCOCCCCc2ccccc2)c2cc(C(=O)O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 6/20 0.53
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ CYP2D6 P10635 4/20 0.42
▸ CYP2C9 P11712 4/20 0.42
▸ CYP2C19 P33261 4/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ IDE P14735 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ PLA2G4B P0C869 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GLA P06280 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ TP53 P04637 3/20 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
SCHEMBL7414619 0.92 SLC22A12 (0.46) SLC22A12ALDH1A1HPGDKDM4ECYP2D6
SCHEMBL7984640 0.72 SLC22A12 (0.61) SLC22A12
SCHEMBL4261343 0.71 SLC22A12 (0.60) SLC22A12ALDH1A1HPGDKDM4E
SCHEMBL3607602 0.69 SLC22A12 (0.49) SLC22A12ALDH1A1HPGDKDM4ECYP2D6
SCHEMBL11975938 0.69 SLC22A12 (1.00) SLC22A12
SCHEMBL12162213 0.68 RARB (0.74) ALDH1A1MAPTPLA2G4BTP53
SCHEMBL12162212 0.68 RARB (0.74) ALDH1A1MAPTPLA2G4BTP53
SCHEMBL12162210 0.66 RARB (0.69) ALDH1A1MAPTPLA2G4BTP53
SCHEMBL12354617 0.66 RARB (0.73) ALDH1A1MAPTPLA2G4BSMN1; SMN2TP53
SCHEMBL7382833 0.66 SLC22A12 (0.56) SLC22A12HPGDKDM4E

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
US-6262040-B1 Indazole derivatives and their use as inhibitors of phosphodiesterase (PDE) type IV and the production of tumor necrosis factor (TNF) PFIZER INC 2001-07-17 — — US disclosed
CN-1234031-A Indazole derivatives and their use as inhibitors of phosphodiesterase (PDE) type IV and the prodn. of tumor necrosis factor (TNF) PFIZER (US) 1999-11-03 — — CN disclosed
EP-0931075-A1 INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER INC. (US) 1999-07-28 — — EP disclosed
WO-1998009961-A1 INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER INC. (US) 1998-03-12 — — WO disclosed
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