SCHEMBL7966936

SCHEMBL7966936

COc1cc(C)ccc1OCC1CO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
GLA P06280 1/20 0.54
ACHE P22303 1/20 0.53
L3MBTL1 Q9Y468 11/20 0.50
MAPT P10636 9/20 0.50
HPGD P15428 5/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL4 Q8NA19 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47

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
SCHEMBL7966930 1.00 ALDH1A1 (0.54) ALDH1A1GLAACHEL3MBTL1MAPT
SCHEMBL7966929 1.00 ALDH1A1 (0.54) ALDH1A1GLAACHEL3MBTL1MAPT
SCHEMBL27131262 0.92 ALDH1A1 (0.59) ALDH1A1GLAACHEL3MBTL1MAPT
SCHEMBL15344472 0.89 ACHE (0.45) ALDH1A1GLAACHEL3MBTL1MAPT
SCHEMBL15344471 0.89 ACHE (0.45) ALDH1A1GLAACHEL3MBTL1MAPT
SCHEMBL31213024 0.85 ALDH1A1 (0.64) ALDH1A1GLAMAPTHPGDCYP2C9
SCHEMBL7953345 0.85 ALDH1A1 (0.64) ALDH1A1GLAL3MBTL1MAPTHPGD
SCHEMBL262508 0.85 ALDH1A1 (0.64) ALDH1A1GLAL3MBTL1MAPTHPGD
SCHEMBL7953349 0.85 ALDH1A1 (0.64) ALDH1A1GLAL3MBTL1MAPTHPGD
SCHEMBL4945160 0.85 ALDH1A1 (0.64) ALDH1A1GLAMAPTHPGDCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0718464-A1 Well treatment using particulate blends HALLIBURTON COMPANY (US) 1996-06-26 EP disclosed
US-5492178-A Well treating methods and devices using particulate blends HALLIBURTON COMPANY (US) 1996-02-20 US disclosed
US-5381864-A Well treating methods using particulate blends HALLIBURTON COMPANY (US) 1995-01-17 US disclosed