SCHEMBL6904947

SCHEMBL6904947

CCOC(=O)Cc1ccc(OCBr)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.53
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
CYP4Z1 Q86W10 1/20 0.49
LIPE Q05469 1/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LTA4H P09960 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL181473 0.88 HPGD (0.61) TBXAS1ALDH1A1HPGDCYP4Z1LIPE
SCHEMBL7969106 0.87 TBXAS1 (0.57) TBXAS1ALDH1A1HPGDCYP4Z1GAA
SCHEMBL3581393 0.86 TBXAS1 (0.56) TBXAS1SMN1; SMN2LTA4H
SCHEMBL25242319 0.85 TBXAS1 (0.54) TBXAS1ALDH1A1HPGDCYP4Z1LIPE
SCHEMBL27855918 0.84 TBXAS1 (0.55) TBXAS1SMN1; SMN2LTA4H
SCHEMBL68851 0.84 CYP4Z1 (0.62) TBXAS1ALDH1A1CYP4Z1LIPEMAPT
SCHEMBL7484161 0.83 SMN1; SMN2 (0.62) TBXAS1ALDH1A1LMNASMN1; SMN2LTA4H
SCHEMBL3801206 0.83 TBXAS1 (0.60) TBXAS1ALDH1A1HPGDMAPTGAA
SCHEMBL27855929 0.83 TBXAS1 (0.54) TBXAS1GAASMN1; SMN2LTA4H
SCHEMBL6288240 0.83 ALDH1A1 (0.56) ALDH1A1LIPEGAAMEN1KMT2A

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-6806267-B1 ANTITUMOUR AGENTS; OVERCOMING CHRONIC MYELOID LEUKEMIA ASSOCIATED DRUG RESISTANCE; SUCH AS 4-ACETOXY-5-PHENYL-NAPHTO(2,3-B)PYRROLO(1,2-D)(1,4)OXAZEPINE THE UNIVERSITA'DI SIENA (IT) 2004-10-19 US disclosed
EP-1255758-A1 APOPTOSIS-INDUCING COMPOUNDS THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2002-11-13 EP disclosed
WO-2001058904-A9 APOPTOSIS-INDUCING COMPOUNDS TRINITY COLLEGE DUBLIN (IE) 2002-02-21 WO disclosed
WO-2001058904-A1 APOPTOSIS-INDUCING COMPOUNDS THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2001-08-16 WO disclosed