SCHEMBL122994

SCHEMBL122994

CCC(CC)(CN)Oc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 7/20 0.50
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CALM1 P0DP23 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ SLC6A4 P31645 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ PPARG P37231 3/20 0.36
▸ PPARA Q07869 3/20 0.36

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
SCHEMBL11331397 0.75 LTA4H (0.49) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1985113 0.75 KDM1A (0.30) —
SCHEMBL11673331 0.75 ALDH1A1 (0.46) LMNA
SCHEMBL11459021 0.72 OPRK1 (0.54) LTA4HL3MBTL1LMNAOPRK1PPARG
SCHEMBL4367709 0.72 — —
SCHEMBL10607135 0.71 LTA4H (0.67) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16770891 0.71 SLC6A4 (0.58) LTA4HCALM1SLC6A4
SCHEMBL122993 0.70 LTA4H (0.53) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11335723 0.70 LTA4H (0.46) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10971437 0.69 APP (0.51) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424500-A1 LIPID FORMULATION OF APOPTOSIS PROMOTER Abbott Laboratories (US) 2012-03-07 — — EP disclosed
WO-2010127198-A1 FORMULATION FOR ORAL ADMINISTRATION OF APOPTOSIS PROMOTER ABBOTT LABORATORIES (US) 2010-11-04 — — WO disclosed
WO-2010127192-A1 LIPID FORMULATION OF APOPTOSIS PROMOTER ABBOTT LABORATORIES (US) 2010-11-04 — — WO disclosed
EP-2038252-A2 SUBSTITUTED ACYLANILIDES AND METHODS OF USE THEREOF University of Tennessee Research Foundation (US) 2009-03-25 — — EP disclosed
WO-2008008433-A2 SUBSTITUTED ACYLANILIDES AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2008-01-17 — — WO disclosed
EP-1539123-A1 USE OF A COMBINATION OF DPPE WITH OTHER CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF BREAST CANCER The University of Manitoba (CA) 2005-06-15 — — EP disclosed
WO-2004024131-A1 USE OF A COMBINATION OF DPPE WITH OTHER CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF BREAST CANCER THE UNIVERSITY OF MANITOBA (CA) 2004-03-25 — — WO disclosed
EP-0737067-A1 METHOD OF TREATMENT OF HORMONE-UNRESPONSIVE METASTATIC PROSTATE CANCER UNIVERSITY OF MANITOBA (CA) 1996-10-16 — — EP disclosed
EP-0684817-A1 CANCER TREATMENT UNIVERSITY OF MANITOBA (CA) 1995-12-06 — — EP disclosed
WO-1995017887-A1 METHOD OF TREATMENT OF HORMONE-UNRESPONSIVE METASTATIC PROSTATE CANCER UNIVERSITY OF MANITOBA (CA) 1995-07-06 — — WO disclosed
WO-1994018961-A1 CANCER TREATMENT UNIVERSITY OF MANITOBA (CA) 1994-09-01 — — WO disclosed
EP-0563127-A1 IMPROVED TREATMENT METHOD FOR CANCER. UNIV MANITOBA (CA) 1993-10-06 — — EP disclosed
WO-1992011035-A1 IMPROVED TREATMENT METHOD FOR CANCER UNIVERSITY OF MANITOBA (CA) 1992-07-09 — — WO disclosed
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