SCHEMBL8726512

SCHEMBL8726512

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.36
ABL1 P00519 2/20 0.35
RIN1 Q13671 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PTGS1 P23219 3/20 0.33

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
SCHEMBL8726529 0.86 CYP3A4 (0.41) ALDH1A1GAACYP3A4CYP2C9CYP2C19
SCHEMBL11450210 0.83 SMN1; SMN2 (0.38) ALDH1A1GAAPOLBSMN1; SMN2ABL1
SCHEMBL10602259 0.77 ALDH1A1 (0.46) ALDH1A1GAACYP3A4CYP2C9CYP2C19
SCHEMBL10338129 0.76 ALDH1A1 (0.40) ALDH1A1GAACYP3A4CYP2C9CYP2C19
SCHEMBL8726264 0.75 MEN1 (0.46) ALDH1A1GAACYP3A4CYP2C9CYP2C19
SCHEMBL8724260 0.73 MEN1 (0.47) ALDH1A1GAACYP3A4CYP2C9CYP2C19
SCHEMBL8726371 0.73 KMT2A (0.54) GAAMAPTPOLBSMN1; SMN2ABL1
SCHEMBL1363146 0.72 SMN1; SMN2 (0.42) GAAPOLBSMN1; SMN2ABL1RIN1
SCHEMBL11456944 0.70 ABL1 (0.41) ALDH1A1GAAPOLBSMN1; SMN2ABL1
SCHEMBL4646184 0.70 MMP1 (0.46) GAAPOLBSMN1; SMN2ABL1RIN1

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 12 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
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