SCHEMBL14747429

SCHEMBL14747429

CC1=C(C(=O)OCC(C)C)C(c2ccccc2C(F)(F)F)NC(=S)N1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 3/20 0.66
CACNA1F O60840 2/20 0.66
CACNA1D Q01668 2/20 0.66
CACNA1S Q13698 2/20 0.66
ALDH1A1 P00352 1/20 0.61
ALOX12 P18054 1/20 0.61
CA1 P00915 4/20 0.59
CA2 P00918 4/20 0.59
HPGD P15428 1/20 0.58
MAPK1 P28482 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
DHFR P00374 2/20 0.56
ADORA2B P29275 2/20 0.49
MAPT P10636 1/20 0.48
TP53 P04637 2/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL10113069 0.88 CACNA1F (0.67) CACNA1CCACNA1FCACNA1DCACNA1SADORA2B
SCHEMBL7694814 0.78 DHFR (0.67) CACNA1CCACNA1FCACNA1DCACNA1SALDH1A1
SCHEMBL7690975 0.76 ALDH1A1 (0.64) CACNA1CCACNA1FCACNA1DCACNA1SALDH1A1
SCHEMBL7695444 0.76 ALDH1A1 (1.00) ALDH1A1ALOX12ADORA2BMAPTTDP1
SCHEMBL7693397 0.76 MAPT (0.64) CACNA1CCACNA1FCACNA1DCACNA1SALDH1A1
SCHEMBL10789349 0.75 CACNA1F (0.67) CACNA1CCACNA1FCACNA1DCACNA1STP53
SCHEMBL14164087 0.75 CA1 (0.78) ALDH1A1CA1CA2DHFRADORA2B
SCHEMBL10113419 0.75 CA1 (1.00) ALDH1A1ALOX12CA1CA2DHFR
SCHEMBL10471492 0.74 CACNA1C (0.60) CACNA1CCACNA1FCACNA1DCACNA1SALDH1A1
SCHEMBL27673360 0.73 CACNA1C (0.64) CACNA1CCACNA1FCACNA1DCACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389529-B2 Methods and compositions for treating asthma HYDRA BIOSCIENCES, INC. (US) 2013-03-05 US disclosed
US-8389529-B2 Methods and compositions for treating asthma HYDRA BIOSCIENCES, INC. (US) 2013-03-05 US disclosed