SCHEMBL12059191

SCHEMBL12059191

CCC1(C)C(=O)N(c2ccccc2)CC(C)(C)N1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SIGMAR1 Q99720 2/20 0.38
OPRM1 P35372 1/20 0.38
KCNH2 Q12809 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRB3 P13945 1/20 0.35
ADRA2B P18089 1/20 0.35
DRD4 P21917 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 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
SCHEMBL4954884 0.85 ELANE (0.41) ELANERAB9ASMN1; SMN2SIGMAR1OPRM1
SCHEMBL3026097 0.76 ELANE (0.44) ELANERAB9ASMN1; SMN2SIGMAR1OPRM1
SCHEMBL4954393 0.69 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7067422 0.69 ELANE (0.42) ELANERAB9ASMN1; SMN2SIGMAR1OPRM1
SCHEMBL13249587 0.68 ELANE (0.41) ELANERAB9ASMN1; SMN2SIGMAR1OPRM1
SCHEMBL7073839 0.66 ELANE (0.36) ELANERAB9ASMN1; SMN2SIGMAR1OPRM1
SCHEMBL7070549 0.66 ELANE (0.44) ELANEOPRM1MEN1KMT2AGAA
SCHEMBL6228586 0.65 ELANE (0.46) ELANEALDH1A1KMT2ALMNAGAA
SCHEMBL9578136 0.64 RAB9A (0.47) ELANERAB9ASMN1; SMN2SIGMAR1OPRM1
SCHEMBL22054795 0.63 TMEM97 (0.45) RAB9ASMN1; SMN2SIGMAR1OPRM1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319535-A1 IN-CAN STABILIZERS NESVADBA PETER (CH) 2011-12-29 US disclosed