SCHEMBL14079556

SCHEMBL14079556

CCc1ccc(-c2ccc(C3CC3C(=O)Oc3cc4c5cc(OC(=O)C6CC6c6ccc(CC)cc6)c(OC(=O)C6CC6c6ccc(CC)cc6)cc5c5cc(OC(=O)C6CC6c6ccc(CC)cc6)c(OC(=O)C6CC6c6ccc(CC)cc6)cc5c4cc3OC(=O)C3CC3c3ccc(CC)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 4/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ LTB4R Q15722 1/20 0.37
▸ S1PR1 P21453 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34

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
SCHEMBL12577491 0.96 SLC6A3 (0.42) GPR88FFAR1SLC6A3ALDH1A1
SCHEMBL12577484 0.85 ALDH1A1 (0.48) GPR88FFAR1SLC6A3LTB4RFFAR4
SCHEMBL14079555 0.85 ALDH1A1 (0.48) GPR88FFAR1SLC6A3LTB4RFFAR4
SCHEMBL12577488 0.81 ALDH1A1 (0.51) FFAR1SLC6A3FFAR4ALDH1A1SLC6A2
SCHEMBL13238093 0.79 MAPT (0.43) GPR88ALDH1A1
SCHEMBL12577451 0.79 MAPT (0.49) SLC6A3ALDH1A1SLC6A2SLC6A4
SCHEMBL12577454 0.79 RAB9A (0.50) ALDH1A1
SCHEMBL12577457 0.78 SLC9A1 (0.49) FFAR1SLC6A3ALDH1A1SLC6A4
SCHEMBL23512759 0.78 FFAR1 (0.60) GPR88FFAR1S1PR1S1PR5FFAR4
SCHEMBL23512612 0.78 FFAR1 (0.60) GPR88FFAR1S1PR1S1PR5FFAR4

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-20080192191-A1 Optical Compensation Film, Polarizing Plate and Liquid Crystal Display FUJIFILM CORPORATION (JP) 2008-08-14 — — US disclosed
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