SCHEMBL21084264

SCHEMBL21084264

C=C(C)CCCNCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.48
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
S1PR1 P21453 7/20 0.32
S1PR3 Q99500 7/20 0.32
S1PR2 O95136 6/20 0.32
S1PR4 O95977 5/20 0.32
S1PR5 Q9H228 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL25978589 0.93 PAOX (0.52) PAOXTSHRALDH1A1CYP2C19MEN1
SCHEMBL18681683 0.91 PAOX (0.50) PAOXTSHRALDH1A1CYP2C19CYP1A2
SCHEMBL20960756 0.91 PAOX (0.50) PAOXTSHRALDH1A1CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL22771730 0.83 PAOX (0.40) PAOXTSHRALDH1A1THRATHRB
SCHEMBL8675626 0.83
SCHEMBL24040956 0.82 ALDH1A1 (0.56) PAOXTSHRALDH1A1S1PR1S1PR3
SCHEMBL20648073 0.82 ALDH1A1 (0.56) PAOXTSHRALDH1A1S1PR1S1PR3
SCHEMBL22735242 0.82 ALDH1A1 (0.56) PAOXTSHRALDH1A1S1PR1S1PR3
SCHEMBL29326851 0.81 CA12 (0.50) PAOXTSHRALDH1A1CYP2C19MEN1
SCHEMBL20118878 0.81 TSHR (0.48) PAOXTSHRALDH1A1CYP2C19MEN1

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-20190167407-A1 DEVICES AND METHODS FOR LUNG VOLUME REDUCTION SHIFAMED HOLDINGS LLC (US) 2019-06-06 US disclosed