SCHEMBL6310046

SCHEMBL6310046

CCCCOc1ccc(S(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(c2ccc(OCCCC)cc2)c2ccc(OCCCC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.49
CA2 P00918 10/20 0.49
CA12 O43570 5/20 0.49
CA9 Q16790 5/20 0.49
TSHR P16473 3/20 0.49
CA7 P43166 2/20 0.49
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MMP1 P03956 2/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTGS2 P35354 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL3104520 0.95 CA1 (0.45) CA1CA2CA12CA9TSHR
SCHEMBL3126070 0.94 CA1 (0.44) CA1CA2CA12CA9TSHR
SCHEMBL3130573 0.94 CA1 (0.44) CA1CA2CA12CA9TSHR
SCHEMBL5855875 0.89 CA1 (0.46) CA1CA2CA12CA9CA7
SCHEMBL5857812 0.88 CA1 (0.48) CA1CA2CA12CA9TSHR
SCHEMBL5858655 0.88 CA1 (0.48) CA1CA2CA12CA9TSHR
SCHEMBL5857798 0.87 CA1 (0.47) CA1CA2CA12CA9TSHR
SCHEMBL5856256 0.87 CA1 (0.47) CA1CA2CA12CA9TSHR
SCHEMBL8514115 0.85 AOC2 (0.41) CA1CA2CA12CA9TSHR
SCHEMBL5856183 0.85 MEN1 (0.47) CA1CA2CA12CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838224-B2 Chemical amplification, positive resist compositions SHI-ETSU CHEMICAL CO., LTD. (JP) 2005-01-04 US disclosed
US-6682869-B2 IN POLYMER SHIN-ETU CHEMICAL CO., LTD. (JP) 2004-01-27 US disclosed
US-20010038971-A1 Chemical amplification, positive resist compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-11-08 US disclosed
US-20010033994-A1 Chemical amplification, positive resist compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-10-25 US disclosed