SCHEMBL19085520

SCHEMBL19085520

CC1CN1CCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 2/20 0.42
SLC22A6 Q4U2R8 2/20 0.42
TSHR P16473 5/20 0.40
HRH3 Q9Y5N1 1/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
AKR1B1 P15121 1/20 0.39
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
GPR84 Q9NQS5 5/20 0.38
HDAC11 Q96DB2 5/20 0.38
ALDH1A1 P00352 2/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38

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
SCHEMBL2704549 0.86
SCHEMBL18154865 0.82 THRB (0.35) CYP1A2MAPK1SMN1; SMN2SIGMAR1HRH3
SCHEMBL1535860 0.82 THRB (0.35) CYP1A2MAPK1SMN1; SMN2SIGMAR1HRH3
SCHEMBL26498896 0.81 HRH3 (0.39) CYP1A2MAPK1SMN1; SMN2SLC22A6TSHR
Ethylene Glycol SCHEMBL672311 0.81 THRB (0.36) CYP1A2SIGMAR1HRH3GPR84ALDH1A1
SCHEMBL1861972 0.79 HRH3 (0.62) CYP1A2MAPK1SMN1; SMN2HRH3
SCHEMBL1858200 0.79 HRH3 (0.62) CYP1A2MAPK1SMN1; SMN2HRH3
SCHEMBL1856917 0.79 HRH3 (0.62) CYP1A2MAPK1SMN1; SMN2HRH3
SCHEMBL31530011 0.79 KDM5A (0.40) SIGMAR1HRH3
SCHEMBL20590547 0.78 THRB (0.35) CYP1A2SIGMAR1HRH3ALDH1A1

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
WO-2017117528-A1 LIPIDS AND LIPID NANOPARTICLE FORMULATIONS FOR DELIVERY OF NUCLEIC ACIDS Acuitas Therapeutics, Inc. (CA) 2017-07-06 WO disclosed