SCHEMBL6502525

SCHEMBL6502525

CCOc1ccc2cc(-c3cccc(CCC(N)(CO)CO)c3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
CYP19A1 P11511 1/20 0.47
FFAR1 O14842 1/20 0.47
PPARD Q03181 1/20 0.47
SLC13A5 Q86YT5 1/20 0.43
S1PR1 P21453 7/20 0.43
S1PR3 Q99500 5/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
TNNC1 P63316 5/20 0.39
SGPL1 O95470 1/20 0.39
S1PR4 O95977 1/20 0.39
GPR183 P32249 1/20 0.39
CERS2 Q96G23 1/20 0.39
S1PR5 Q9H228 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
SCHEMBL6507477 0.89 S1PR1 (0.50) CYP11B1CYP11B2CYP19A1SLC13A5S1PR1
Hydrochloric Acid SCHEMBL6529171 0.88 S1PR1 (0.50) SLC13A5S1PR1S1PR3TNNC1SGPL1
SCHEMBL6507059 0.82 S1PR1 (0.51) CYP19A1SLC13A5S1PR1S1PR3TNNC1
SCHEMBL6508458 0.82 S1PR1 (0.59) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL6504336 0.80 S1PR1 (0.57) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL6502451 0.79 S1PR1 (0.45) FFAR1S1PR1S1PR3
SCHEMBL6502428 0.77 FFAR1 (0.44) CYP11B1CYP11B2CYP19A1FFAR1PPARD
SCHEMBL6528364 0.76 S1PR1 (0.61) SLC13A5S1PR1S1PR3TNNC1SGPL1
Hydrochloric Acid SCHEMBL6526756 0.75 S1PR1 (0.60) SLC13A5S1PR1S1PR3TNNC1SGPL1
SCHEMBL6502535 0.75 S1PR1 (0.63) S1PR1S1PR3TNNC1SGPL1S1PR4

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
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO claimed
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed