SCHEMBL7083891

SCHEMBL7083891

CC(C)(C)CC(C)(C)CC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL11981948 0.89 KDM4E (0.39) KDM4ETDP1FFAR1CPT2HMGCR
SCHEMBL16280996 0.83 KDM4E (0.42) KDM4ETDP1FFAR1CPT2HMGCR
SCHEMBL23617905 0.82 KDM4E (0.34) KDM4ETDP1FFAR1CPT2
SCHEMBL12130380 0.80 KDM4E (0.33) KDM4E
SCHEMBL24709299 0.80 KDM4E (0.33) KDM4ETDP1GMNNUSP2ALDH1A1
SCHEMBL22561607 0.80 KDM4E (0.54) KDM4ETDP1FFAR1CPT2HMGCR
SCHEMBL21553610 0.80 KDM4E (0.30) KDM4E
SCHEMBL22793509 0.78 KDM4E (0.32) KDM4ETDP1GMNNUSP2ALDH1A1
SCHEMBL20902791 0.78 KDM4E (0.37) KDM4ETDP1FFAR1CPT2HMGCR
SCHEMBL125115 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP claimed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO claimed
WO-2021068380-A1 PREPARATION OF DEGRADATION COMPOUND TARGETING BTK PROTEIN, AND APPLICATION THEREOF IN TREATING AUTOIMMUNE DISEASES AND TUMORS 清华大学 2021-04-15 WO disclosed
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP disclosed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO disclosed