SCHEMBL6027401

SCHEMBL6027401

CCCCCCCCCCCCCCCCCCCCCCOc1ccc(CC(C)(O)C=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.51
S1PR1 P21453 8/20 0.51
S1PR3 Q99500 7/20 0.50
S1PR4 O95977 5/20 0.50
S1PR5 Q9H228 4/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
PLA2G4B P0C869 2/20 0.49
S1PR2 O95136 2/20 0.48
LPAR2 Q9HBW0 2/20 0.48
RARB P10826 1/20 0.47

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
SCHEMBL788296 0.84 SMN1; SMN2 (0.50)
SCHEMBL19644362 0.84 SMN1; SMN2 (0.50)
SCHEMBL9027655 0.83 NR5A1 (0.59) NR5A1S1PR1S1PR3S1PR4S1PR5
SCHEMBL9614864 0.82 SMN1; SMN2 (0.48)
SCHEMBL2776407 0.82 ESR1 (0.51) TP53
SCHEMBL9027652 0.80 NR5A1 (0.54) NR5A1S1PR1S1PR3S1PR4S1PR5
SCHEMBL9575640 0.80 LMNA (0.39)
SCHEMBL10455828 0.80 LMNA (0.39) TSHR
SCHEMBL3975354 0.79 THRA (0.38)
SCHEMBL5560846 0.78 PPARA (0.38) S1PR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631616-A1 NOVEL SURFACE-ACTIVE POLYSILOXANE PHOTOINITIATORS Ciba SC Holding AG (CH) 2006-03-08 EP disclosed
WO-2004108799-A1 NOVEL SURFACE-ACTIVE POLYSILOXANE PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-12-16 WO disclosed