SCHEMBL8726529

SCHEMBL8726529

CCCCN1C(=O)NC(C(C)C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.37
ABL1 P00519 2/20 0.37
RIN1 Q13671 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 2/20 0.37
PLA2G10 O15496 1/20 0.36
PLA2G5 P39877 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
MGLL Q99685 2/20 0.35

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
SCHEMBL11450210 0.86 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2KMT2AABL1RIN1
SCHEMBL8726512 0.86 ALDH1A1 (0.46) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL25069358 0.81 ALDH1A1 (0.45) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10338129 0.79 ALDH1A1 (0.40) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8724260 0.76 MEN1 (0.47) CYP3A4ALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11780495 0.76 ALDH1A1 (0.44) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8726371 0.76 KMT2A (0.54) SMN1; SMN2KMT2AABL1RIN1TDP1
SCHEMBL1363146 0.74 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AABL1RIN1TDP1
SCHEMBL11482841 0.74 ALDH1A1 (0.40) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1361115 0.73 MMP1 (0.46) SMN1; SMN2KMT2AABL1RIN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5766556-A SUITABLE ENVIRONMENT FOR SIMULTANEOUS SYNTHESIS OF ORGANIC COMPOUNDS, INORGANIC COMPOUNDS AND ORGANOMETALLIC COMPOUNDS WARNER-LAMBERT COMPANY (US) 1998-06-16 US disclosed
US-5714127-A RESERVOIR RACKS WITH REACTION WELLS; GAS DISPERSION TUBES CONTAINING FILTERS; HOLDER BLOCK WITH APERTURES; MANIFOLD WARNER-LAMBERT COMPANY (US) 1998-02-03 US disclosed
US-5702672-A REACTION TUBE COMPRISING GAS DISPERSION TUBE HAVING GROUNG GLASS JOINT SECTION WARNER-LAMBERT COMPANY (US) 1997-12-30 US disclosed
WO-1997038303-A1 METHOD AND SYSTEM FOR IDENTIFICATION, PURIFICATION, AND QUANTITATION OF REACTION COMPONENTS WARNER-LAMBERT COMPANY (US) 1997-10-16 WO disclosed
US-5670054-A AUTOMATIC WARNER LAMBERT COMPANY (US) 1997-09-23 US disclosed
US-5612002-A SYNTHESIS OF COMPOUNDS WARNER-LAMBERT COMPANY (US) 1997-03-18 US disclosed
US-5593642-A CONTAINMENT OF SOLID SUPPORT WITHIN A GAS DISPERSION TUBE WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
US-5582801-A HAVING PLURALITY OF REACTION TUBES WITH FILTERS ON LOWER ENDS, RESERVOIR WITH MEANS FOR RECEIVING FILTERS, HOLDER FOR SUPPORTING TUBES, MANIFOLD ENCLOSING UPPER ENDS, FASTENERS HOLDING TOGETHER HOLDER AND MANIFOLD, HOLDER AND RESERVOIR WARNER-LAMBERT COMPANY (US) 1996-12-10 US disclosed
US-5567391-A MULTICOMPARTMENT CHEMICAL REACTORS WARNER-LAMBERT COMPANY (US) 1996-10-22 US disclosed
US-5565173-A USED FOR SOLID-PHASE SYNTHESIS WARNER-LAMBERT COMPANY (US) 1996-10-15 US disclosed
WO-1996030393-A1 A METHOD FOR THE SYNTHESIS OF MIXTURES OF COMPOUNDS WARNER-LAMBERT COMPANY (US) 1996-10-03 WO disclosed
EP-0663856-A1 APPARATUS AND METHOD FOR MULTIPLE SIMULTANEOUS SYNTHESIS WARNER-LAMBERT COMPANY (US) 1995-07-26 EP disclosed
US-5324483-A Apparatus for multiple simultaneous synthesis WARNER-LAMBERT COMPANY (US) 1994-06-28 US disclosed
WO-1994008711-A1 APPARATUS AND METHOD FOR MULTIPLE SIMULTANEOUS SYNTHESIS WARNER-LAMBERT COMPANY (US) 1994-04-28 WO disclosed