SCHEMBL5866201

SCHEMBL5866201

CCOc1ccc([S+]2CCCC2)c2ccccc12.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2CCC1C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
LMNA P02545 4/20 0.39
TSHR P16473 4/20 0.39
HTT P42858 3/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
NPSR1 Q6W5P4 3/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 3/20 0.32
ALOX12 P18054 1/20 0.32
NTSR1 P30989 1/20 0.32
CCR6 P51684 1/20 0.32
MCL1 Q07820 1/20 0.32
FABP4 P15090 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.30

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
SCHEMBL29429148 0.92 SLC2A1 (0.36) ALDH1A1LMNATSHRHTTMCOLN3
SCHEMBL447052 0.92 SLC2A1 (0.36) ALDH1A1LMNATSHRHTTMCOLN3
SCHEMBL5866195 0.90 ALDH1A1 (0.34) ALDH1A1LMNATSHRHTTKDM4E
SCHEMBL3872282 0.84 CNR2 (0.30)
Trifluoromethanesulfonic Acid SCHEMBL31168250 0.82 TSHR (0.44) ALDH1A1LMNATSHRHTTMCOLN3
Trifluoromethanesulfonic Acid SCHEMBL36662 0.82 TSHR (0.44) ALDH1A1LMNATSHRHTTMCOLN3
SCHEMBL701702 0.81 TSHR (0.42) ALDH1A1LMNATSHRHTTMCOLN3
SCHEMBL704517 0.80 TSHR (0.41) ALDH1A1LMNATSHRHTTMCOLN3
SCHEMBL7101055 0.80 BRD4 (0.34) HPGD
SCHEMBL2542340 0.79 SLC2A1 (0.33) ALDH1A1LMNAGAASMN1; 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-7144675-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-12-05 US disclosed