SCHEMBL8908541

SCHEMBL8908541

[CH2]CC(C)Oc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.59
PPARG P37231 6/20 0.49
PPARA Q07869 6/20 0.49
CALM1 P0DP23 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
IGLV6-57 P01721 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL3469518 0.85 MTNR1A (0.50) LTA4HCYP1A2CYP2C9CYP2C19MTNR1A
SCHEMBL5684114 0.84 LTA4H (0.65) LTA4HPPARGPPARACALM1L3MBTL1
SCHEMBL29086619 0.81 CYP1A2 (0.53) PPARGPPARACYP1A2CYP2C9CYP2C19
SCHEMBL17807116 0.81 LTA4H (0.61) LTA4HPPARGPPARACALM1L3MBTL1
SCHEMBL8638375 0.78 LTA4H (0.57) LTA4HPPARGPPARACALM1L3MBTL1
SCHEMBL17710899 0.74 CYP1A2 (0.67) LTA4HPPARGPPARAL3MBTL1CYP1A2
SCHEMBL20863171 0.74 LTA4H (0.52) LTA4HPPARGPPARACALM1L3MBTL1
SCHEMBL17710847 0.74 CYP1A2 (0.67) LTA4HPPARGPPARAL3MBTL1CYP1A2
SCHEMBL8673825 0.73 LTA4H (0.47) LTA4HPPARGPPARACALM1L3MBTL1
SCHEMBL7140105 0.73 LTA4H (0.97) LTA4HCYP2D6

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-5700816-A ANTIARTHRITIC AGENTS G.D. SEARLE & CO. 1997-12-23 US disclosed