SCHEMBL27712596

SCHEMBL27712596

CCCCCCCCCCc1ccc(CCN2CCC(C(=O)O)(C(=O)O)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.59
S1PR1 P21453 5/20 0.51
THRA P10827 2/20 0.51
THRB P10828 2/20 0.51
S1PR3 Q99500 3/20 0.50
S1PR4 O95977 2/20 0.50
S1PR5 Q9H228 2/20 0.50
ALDH1A1 P00352 2/20 0.48
RARB P10826 4/20 0.47
MEN1 O00255 1/20 0.47
RARA P10276 1/20 0.47
MAPT P10636 1/20 0.47
MTOR P42345 1/20 0.47
KMT2A Q03164 1/20 0.47
SPHK2 Q9NRA0 2/20 0.45

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
SCHEMBL5797072 0.89 S1PR1 (0.60) SPHK1S1PR1THRATHRBS1PR3
SCHEMBL4289421 0.89 S1PR1 (0.60) SPHK1S1PR1THRATHRBS1PR3
SCHEMBL4300178 0.89 S1PR1 (0.60) SPHK1S1PR1THRATHRBS1PR3
SCHEMBL4298783 0.89 S1PR1 (0.60) SPHK1S1PR1THRATHRBS1PR3
SCHEMBL28766861 0.86 SPHK1 (0.55) SPHK1S1PR1THRATHRBS1PR3
SCHEMBL27692855 0.84 SIGMAR1 (0.49) S1PR1THRATHRBS1PR3S1PR4
SCHEMBL4287254 0.80 S1PR1 (0.53) SPHK1S1PR1THRATHRBS1PR3
SCHEMBL4286810 0.79 S1PR1 (0.52) SPHK1S1PR1THRATHRBS1PR3
SCHEMBL4300481 0.79 LMNA (0.53) S1PR1S1PR3S1PR4S1PR5ALDH1A1
SCHEMBL4293954 0.78 S1PR1 (0.63) S1PR1THRATHRBS1PR3S1PR4

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-101107218-A Novel dicarboxylic acid derivatives BIOPROJET SOC CIV (FR) 2008-01-16 CN disclosed