SCHEMBL6725995

SCHEMBL6725995

CC(=O)C[S+]1CCSCC1.CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2

nearest known ligand 0.49

Known targets — ChEMBL curated mechanism

CHRNA3CHRNB4

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.49
PRSS1 P07477 2/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 2/20 0.45
CA1 P00915 8/20 0.44
CA2 P00918 8/20 0.44
CA5A P35218 8/20 0.44
CA5B Q9Y2D0 8/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL6551413 0.90 KMT2A (0.50) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL6728631 0.90 ALDH1A1 (0.48) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL6727488 0.90 F2 (0.47) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL6550776 0.89 KMT2A (0.49) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL6550409 0.89 ALDH1A1 (0.47) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL6730762 0.89 F2 (0.47) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL6734662 0.88 KMT2A (0.48) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL6727485 0.88 F2 (0.46) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL6728399 0.88 SMN1; SMN2 (0.53) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL6727557 0.87 F2 (0.45) F2PRSS1PRSS2PRSS3KMT2A

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
US-20040224251-A1 Positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-11 US disclosed
US-6548220-B2 Containing acid generator SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-15 US disclosed