SCHEMBL27607478

SCHEMBL27607478

CC(C)(C)OC(=O)C(N)Cc1cc(O)ccc1CCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 3/20 0.38
▸ NR1H2 P55055 3/20 0.38
▸ LTA4H P09960 1/20 0.37
▸ NR1H3 Q13133 1/20 0.36
▸ SLC7A5 Q01650 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ HTR7 P34969 1/20 0.35

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
SCHEMBL27589632 0.82 RXRA (0.39) RXRANR1H2NR1H3POLBALDH1A1
SCHEMBL19720241 0.79 EGFR (0.38) LTA4HSLC7A5KDM4EALDH1A1LMNA
SCHEMBL10972221 0.79 ALDH1A1 (0.39) LTA4HSLC7A5KDM4EALDH1A1LMNA
SCHEMBL5561516 0.75 RXFP1 (0.47) RXRANR1H2LTA4HNR1H3SLC7A5
SCHEMBL5560898 0.74 RXFP1 (0.49) RXRANR1H2LTA4HNR1H3POLB
SCHEMBL10626720 0.73 ESR1 (0.39) SLC7A5KDM4EALDH1A1LMNACYP3A4
SCHEMBL7464405 0.72 SLC7A5 (0.57) SLC7A5BLM
SCHEMBL630703 0.72 SLC7A5 (0.57) SLC7A5BLM
SCHEMBL594571 0.72 SLC7A5 (0.57) SLC7A5BLM
SCHEMBL23544355 0.72 SLC7A5 (0.38) LTA4HSLC7A5LMNABLMKMT2A

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
CN-1578659-A Modulators of peroxisome proliferator activated receptors (ppar) LILLY CO ELI (US) 2005-02-09 — — CN disclosed
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