SCHEMBL16601930

SCHEMBL16601930

CCC(=O)OCCCCOC(=O)CCNc1ccc(SSc2ccc(N)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.38
LMNA P02545 5/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE4D Q08499 1/20 0.37
NAAA Q02083 1/20 0.37
DRD3 P35462 2/20 0.36
SCN1A P35498 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 0.36
SCN5A Q14524 2/20 0.36
SCN2A Q99250 2/20 0.36
SCN3A Q9NY46 2/20 0.36

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
SCHEMBL8738077 0.86 PPIB (0.45) RAB9ANPC1MAPTALDH1A1HTT
SCHEMBL8739445 0.82 SMN1; SMN2 (0.47) RAB9AMAPTALDH1A1HTTLMNA
SCHEMBL16140052 0.81 LMNA (0.41) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL8739105 0.81 LMNA (0.41) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL17069545 0.81 LMNA (0.35) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL4824465 0.78 TOP2A (0.49) RAB9ANPC1MAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL4829831 0.76 TOP2A (0.48) RAB9ANPC1MAPTALDH1A1HTT
SCHEMBL10100136 0.76 RAB9A (0.42) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL4824629 0.73 SMN1; SMN2 (0.54) RAB9AMAPTALDH1A1HTTLMNA
SCHEMBL16601936 0.73 TDP1 (0.34) RAB9ALMNACYP1A2DRD3SCN1A

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-8992991-B2 Multicomponent degradable cationic polymers THE JOHNS HOPKINS UNIVERSITY (US) 2015-03-31 US disclosed