SCHEMBL11085658

SCHEMBL11085658

CCCCCC(C)(C)c1ccc(OCCOCCS(=O)(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.54
CNR2 P34972 7/20 0.43
CNR1 P21554 7/20 0.43
CYP3A4 P08684 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
RARB P10826 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
TSHR P16473 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL7757518 0.90 S1PR1 (0.58) S1PR1CNR2CNR1CYP3A4SMN1; SMN2
Potassium Ion SCHEMBL4542316 0.87 S1PR1 (0.42) S1PR1CNR2CNR1CYP3A4SMN1; SMN2
SCHEMBL8506128 0.87 S1PR1 (0.42) S1PR1CNR2CNR1CYP3A4SMN1; SMN2
SCHEMBL6859207 0.83 CYP3A4 (0.60) S1PR1CNR1CYP3A4SMN1; SMN2MEN1
Entsufon SCHEMBL29382695 0.83 CYP3A4 (0.60) S1PR1CNR1CYP3A4SMN1; SMN2MEN1
SCHEMBL29376397 0.83 CYP3A4 (0.60) CNR2CNR1CYP3A4SMN1; SMN2MEN1
SCHEMBL9776310 0.83 CYP3A4 (0.60) CNR2CNR1CYP3A4SMN1; SMN2MEN1
SCHEMBL9299799 0.83 CNR2 (0.44) S1PR1CNR2CNR1CYP3A4SMN1; SMN2
SCHEMBL8506131 0.82 CYP3A4 (0.58) S1PR1CNR1CYP3A4SMN1; SMN2MEN1
SCHEMBL4542317 0.82 CYP3A4 (0.58) S1PR1CNR1CYP3A4SMN1; SMN2MEN1

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-4459351-A Photographic element and process employed combination of surface and internal latent image silver halide EASTMAN KODAK COMPANY (US) 1984-07-10 US disclosed