SCHEMBL3368268

SCHEMBL3368268

C=CCN(C)CCCCCCOc1ccc(N(C)C(=S)NCc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
LSS P48449 9/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 3/20 0.43
TRPV1 Q8NER1 1/20 0.42
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX12 P18054 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
SCHEMBL3367009 0.84 LSS (0.49) LSS
SCHEMBL3368204 0.84 LSS (0.49) LSSALDH1A1
SCHEMBL3365080 0.83 LSS (0.48) LSS
SCHEMBL3367117 0.83 LSS (0.60) LSSKDM4E
SCHEMBL3368366 0.82 LSS (0.58) LSSALDH1A1
SCHEMBL3365207 0.82 LSS (0.45) LSS
SCHEMBL3365618 0.82 ALDH1A1 (0.44) MAPTLSSALDH1A1POLB
SCHEMBL3368503 0.82 MAPT (0.45) MAPTLSSALDH1A1RAB9A
SCHEMBL3364796 0.79 LSS (0.55) LSS
SCHEMBL3364523 0.78 LSS (0.46) LSS

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
EP-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
US-6683201-B2 FOR THERAPY AND PROPHYLAXIS OF HYPERCHOLESTEROLEMIA, HYPERLIPEMIA, ARTERIOSCLEROSIS, VASCULAR DISEASES, MYCOSES, PARASITE INFECTIONS, GALLSTONES, TUMORS AND/OR HYPERPROLIFERATIVE DISORDERS, DIABETES HOFFMANN-LA ROCHE INC. 2004-01-27 US disclosed
EP-1303503-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
WO-2002006189-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed