SCHEMBL7697799

SCHEMBL7697799

CN(C)CCOc1ccc(S(=O)(=O)C2CS(=O)(=O)c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
ESR1 P03372 3/20 0.39
LSS P48449 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
STS P08842 1/20 0.39
CACNA1B Q00975 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
GBA1 P04062 2/20 0.38
CYP2D6 P10635 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
NR1I2 O75469 1/20 0.38
PRKD3 O94806 1/20 0.38
ABCB11 O95342 1/20 0.38
EGFR P00533 1/20 0.38
NR3C1 P04150 1/20 0.38

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
Hydrochloric Acid SCHEMBL7158750 0.99 LTA4H (0.41) LTA4HESR1LSSKDM4EALDH1A1
SCHEMBL7132898 0.88 CHRNB2 (0.41) LTA4HESR1KDM4EALDH1A1CACNA1B
SCHEMBL7697797 0.88 LTA4H (0.41) LTA4HESR1LSSKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7160325 0.87 CHRNB2 (0.40) LTA4HESR1KDM4EALDH1A1CACNA1B
SCHEMBL7689836 0.87 KDM4E (0.46) LTA4HESR1KDM4EALDH1A1STS
Hydrochloric Acid SCHEMBL7158756 0.87 LTA4H (0.40) LTA4HESR1LSSKDM4EALDH1A1
SCHEMBL7132106 0.87 KDM4E (0.43) LTA4HESR1KDM4EALDH1A1STS
SCHEMBL7132188 0.85 TAAR1 (0.39) LTA4HESR1ALDH1A1MEN1CYP3A4
SCHEMBL7134428 0.84 CA1 (0.35) ESR1ALDH1A1SLC6A2HTR2AHTR2C
Hydrochloric Acid SCHEMBL7163833 0.84 TAAR1 (0.38) LTA4HESR1ALDH1A1MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420391-B1 PREVENTION AND/OR TREATMENT OF VARIOUS INFLAMMATORY DISEASES, SEPSIS, MULTIPLE MYELOMA, PLASMA CELL LEUKEMIA, OSTEOPOROSIS, CACHEXIA, PSORIASIS, NEPHRITIS, RENAL CELL CARCINOMA, KAPOSI'S SARCOMA, RHEUMATOID ARTHRITIS, GAMMOPATHY, CASTLEMAN'S ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
EP-1067128-A1 FUSED THIOPHENE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP claimed