SCHEMBL5856249

SCHEMBL5856249

CCCCOc1ccc([S+](C)C)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.43
▸ CA2 P00918 6/20 0.43
▸ TSHR P16473 4/20 0.43
▸ CA12 O43570 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ CA7 P43166 2/20 0.43
▸ MAPK1 P28482 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ MMP1 P03956 2/20 0.35
▸ ADAMTS4 O75173 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34

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
SCHEMBL5858651 0.99 TSHR (0.43) CA1CA2TSHRCA12CA9
SCHEMBL5856271 0.90 CA1 (0.40) CA1CA2CA12CA9CA7
SCHEMBL6310042 0.90 TSHR (0.44) CA1CA2TSHRCA12CA9
SCHEMBL5857796 0.89 CA1 (0.42) CA1CA2TSHRCA12CA9
SCHEMBL5858667 0.89 CA1 (0.41) CA1CA2CA12CA9CA7
SCHEMBL5857810 0.88 TSHR (0.43) CA1CA2TSHRCA12CA9
SCHEMBL3130567 0.87 TSHR (0.40) CA1CA2TSHRCA12CA9
SCHEMBL3126062 0.87 TSHR (0.40) CA1CA2TSHRCA12CA9
SCHEMBL3104515 0.86 TSHR (0.41) CA1CA2TSHRCA12CA9
Trifluoromethanesulfonic Acid SCHEMBL5856344 0.86 CA12 (0.50) CA1CA2TSHRCA12CA9

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-7078148-B2 Photoresist with improved sensitivity and resolution to deep ultraviolet rays/excimer lasers; semiconductors; integrated circuits JSR CORPORATION (JP) 2006-07-18 — — US disclosed
US-20040072094-A1 Radiation sensitive resin composition JSR CORPORATION (JP) 2004-04-15 — — US disclosed
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