SCHEMBL9259693

SCHEMBL9259693

CCCCCCCCCCCCOc1ccc(-c2ccc(CCCCC(=O)O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.62
S1PR3 Q99500 3/20 0.62
S1PR4 O95977 2/20 0.62
RARB P10826 7/20 0.62
FFAR1 O14842 2/20 0.62
LMNA P02545 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
PLA2G4B P0C869 5/20 0.61
S1PR5 Q9H228 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
RARA P10276 1/20 0.57
MAPT P10636 1/20 0.57
MTOR P42345 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL2185272 0.96 S1PR1 (0.67) S1PR1S1PR3S1PR4FFAR1LMNA
SCHEMBL2185966 0.96 S1PR1 (0.67) S1PR1S1PR3S1PR4FFAR1LMNA
SCHEMBL9663932 0.96 S1PR1 (0.67) S1PR1S1PR3S1PR4FFAR1LMNA
SCHEMBL11845832 0.96 S1PR1 (0.67) S1PR1S1PR3S1PR4FFAR1LMNA
SCHEMBL8080040 0.94 FFAR1 (0.68) S1PR1S1PR3S1PR4FFAR1LMNA
SCHEMBL9663920 0.93 LMNA (0.69) S1PR1S1PR3S1PR4FFAR1LMNA
SCHEMBL8001563 0.93 LMNA (0.69) S1PR1S1PR3S1PR4FFAR1LMNA
SCHEMBL7995339 0.93 LMNA (0.69) S1PR1S1PR3S1PR4FFAR1LMNA
SCHEMBL25175626 0.92 S1PR1 (0.68) S1PR1S1PR3S1PR4FFAR1LMNA
SCHEMBL11309024 0.92 S1PR1 (0.68) S1PR1S1PR3S1PR4FFAR1LMNA

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-5417884-A Containing a thiadiazole group BASF AKTIENGESELLSCHAFT (DE) 1995-05-23 US disclosed