SCHEMBL4748490

SCHEMBL4748490

CCCCOC(=O)n1ccc(C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
F2 P00734 2/20 0.52
ALOX15 P16050 1/20 0.52
BCHE P06276 1/20 0.43
TSHR P16473 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NOS1 P29475 1/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
ESR1 P03372 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
PLAU P00749 2/20 0.40
ELANE P08246 2/20 0.40
KLKB1 P03952 1/20 0.40

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
SCHEMBL12126286 0.87 KMT2A (0.49) KMT2AF2L3MBTL1NOS1LMNA
SCHEMBL164431 0.84 KMT2A (0.52) KMT2AF2ALOX15BCHETSHR
SCHEMBL29991043 0.84 KMT2A (0.52) KMT2AF2ALOX15BCHETSHR
SCHEMBL29741733 0.83 KMT2A (0.51) KMT2AF2ALOX15BCHETSHR
SCHEMBL25867514 0.81 KMT2A (0.52) KMT2AF2ALOX15BCHETSHR
SCHEMBL12126289 0.79 PLAU (0.47) KMT2AF2ALOX15TSHRL3MBTL1
SCHEMBL23852412 0.78 KMT2A (0.52) KMT2AF2ALOX15BCHETSHR
SCHEMBL26667191 0.77 KMT2A (0.47) KMT2AF2ALOX15BCHETSHR
SCHEMBL21215677 0.77 KMT2A (0.35) KMT2AF2ALOX15NOS1LMNA
SCHEMBL29961948 0.76 KMT2A (0.46) KMT2AF2ALOX15BCHETSHR

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
WO-2008117051-A1 S-6-METH0XY-2- (2- (3- (PYRIMID-2-YL) IS0XAZ0L-5-YL) PYRROLIDIN-1-YL) -4- (5-METHYL-IH-PYRAZOL-S-YLAMINO) PYRIMIDINE AND POLYMORPHIC FORMS THEREOF AS MODULATORS OF THE INSULIN-LIKE GROWTH ASTRAZENECA AB (SE) 2008-10-02 WO disclosed
EP-0853618-A4 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2000-03-15 EP disclosed
EP-0853618-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-07-22 EP disclosed
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO disclosed