SCHEMBL6727735

SCHEMBL6727735

CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2.CCCC(=O)C[S+]1CCOCC1

nearest known ligand 0.50

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 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 3/20 0.45
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA5A P35218 3/20 0.40
CA5B Q9Y2D0 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 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
SCHEMBL6731633 0.94 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AF2PRSS1PRSS2
SCHEMBL6735588 0.93 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AF2PRSS1PRSS2
SCHEMBL6731522 0.93 SMN1; SMN2 (0.51) SMN1; SMN2KMT2AF2PRSS1PRSS2
SCHEMBL6723643 0.93 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AF2PRSS1PRSS2
SCHEMBL6550640 0.91 KMT2A (0.47) SMN1; SMN2KMT2AF2PRSS1PRSS2
SCHEMBL6549184 0.90 KMT2A (0.46) SMN1; SMN2KMT2AF2PRSS1PRSS2
SCHEMBL6728640 0.89 SMN1; SMN2 (0.51) SMN1; SMN2KMT2AF2PRSS1PRSS2
SCHEMBL6722992 0.89 KMT2A (0.46) SMN1; SMN2KMT2AF2PRSS1PRSS2
SCHEMBL6728399 0.89 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AF2PRSS1PRSS2
SCHEMBL6730762 0.88 F2 (0.47) SMN1; SMN2KMT2AF2PRSS1PRSS2

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