SCHEMBL8318947

SCHEMBL8318947

O=C1c2ccccc2CCC1OCc1cccc(OCc2ncc3ccccc3n2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 4/20 0.39
GPBAR1 Q8TDU6 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX5 P09917 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP19A1 P11511 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8321079 0.86 CYSLTR1 (0.53) CYSLTR1GPBAR1ALOX5CYSLTR2
SCHEMBL8320614 0.76 CYSLTR1 (0.36) CYSLTR1GPBAR1
SCHEMBL8145110 0.74 MAOA (0.62)
SCHEMBL27532854 0.73 ALDH1A1 (0.52) MAPTKDM4EALDH1A1TSHRHSD17B10
SCHEMBL8321585 0.73 CYSLTR1 (0.38) CYSLTR1GPBAR1MAPTALOX5CYSLTR2
SCHEMBL8145824 0.72 MAOB (0.63)
SCHEMBL7509513 0.72 CYSLTR1 (0.49) CYSLTR1GPBAR1MAPTALOX5CYSLTR2
SCHEMBL8144813 0.72 CYSLTR1 (0.66) CYSLTR1GPBAR1TSHRALOX5CYSLTR2
SCHEMBL8143288 0.72 MAOA (0.45)
SCHEMBL8321628 0.72 CYSLTR1 (0.37) CYSLTR1GPBAR1SMN1; SMN2L3MBTL1

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-5885987-A ANTIHISTAMINE AGENT FOR TREATING ASTHMA, ANTILEUKOTRIENE AGENT, ANTIALLERGENS KOWA CO., LTD. (JP) 1999-03-23 US disclosed
US-5756518-A EXHIBITS ANTILEUKOTRIENIC ACTION AND ANTIHISTAMINIC ACTION; IS USEFUL IN TREATMENT OF ASTHMA KOWA CO., LTD. (JP) 1998-05-26 US disclosed