SCHEMBL6527447

SCHEMBL6527447

CCCCCc1ccc(CN(CCC(=O)O)Cc2c(F)ccc(C)c2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.43
S1PR3 Q99500 3/20 0.43
S1PR2 O95136 2/20 0.43
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
ALDH1A1 P00352 1/20 0.42
RARB P10826 2/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 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
SCHEMBL6515374 0.97 ALDH1A1 (0.41) S1PR1S1PR3S1PR2THRATHRB
SCHEMBL6511871 0.90 PPARA (0.39) S1PR1S1PR3S1PR2THRATHRB
SCHEMBL6516568 0.89 PPARA (0.41) S1PR1S1PR3S1PR2THRATHRB
SCHEMBL6507818 0.86 KDM4E (0.38) S1PR1
SCHEMBL6515022 0.81 PLK1 (0.44) S1PR1S1PR3S1PR2THRATHRB
SCHEMBL6516489 0.80 BCL2L1 (0.39) ALDH1A1
SCHEMBL6512680 0.80 FFAR1 (0.44)
SCHEMBL6515031 0.79 MEP1B (0.43)
SCHEMBL6510333 0.79 PLK1 (0.46) S1PR1S1PR3S1PR2THRATHRB
SCHEMBL6533434 0.78 BCL2L1 (0.37) THRBALDH1A1

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
WO-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed