SCHEMBL7080091

SCHEMBL7080091

CCOC(COc1cccs1)(OCC)OCC

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 1/20 0.33
DPP4 P27487 1/20 0.31
ALDH1A1 P00352 6/20 0.31
MAPT P10636 4/20 0.31
KDM4E B2RXH2 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 2/20 0.31
GAA P10253 2/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KEAP1 Q14145 1/20 0.30

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
SCHEMBL389839 0.78
SCHEMBL30403656 0.77
SCHEMBL7080993 0.73 MAPT (0.35) TSHRALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL4484217 0.71
SCHEMBL15657533 0.70 DPP4 (0.39) RAB9ANPC1HPGDTSHRDPP4
SCHEMBL8561714 0.69 ALDH1A1 (0.47) RAB9ANPC1HPGDTSHRALDH1A1
SCHEMBL6439988 0.69 ALDH1A1 (0.35) RAB9ANPC1HPGDTSHRALDH1A1
SCHEMBL9642021 0.68 LMNA (0.43) RAB9ANPC1TSHRALDH1A1MAPT
SCHEMBL700807 0.67
SCHEMBL3295474 0.67

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
EP-1322633-A2 ARYLOXY ESTER AND ACID COMPOUNDS Aventis Pharma Deutschland GmbH (DE) 2003-07-02 EP disclosed
WO-2001092251-A2 ARYLOXY ESTER AND ACID COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-06 WO disclosed