SCHEMBL8428757

SCHEMBL8428757

COCC(=Cc1ccc(S(N)(=O)=O)cc1)C1=C(C)Cc2ccc(OC)cc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 3/20 0.44
▸ CES2 O00748 2/20 0.44
▸ CA2 P00918 13/20 0.41
▸ CA1 P00915 10/20 0.41
▸ CA7 P43166 3/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA9 Q16790 5/20 0.39
▸ CA12 O43570 3/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ PTGS2 P35354 2/20 0.38
▸ PTGS1 P23219 1/20 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
SCHEMBL8431937 1.00 MIF (0.44) MIFCES2CA2CA1CA7
SCHEMBL8431678 1.00 MIF (0.44) MIFCES2CA2CA1CA7
SCHEMBL10611496 0.91 CA2 (0.40) MIFCES2CA2CA1CA7
SCHEMBL8432320 0.89 CA2 (0.41) MIFCES2CA2CA1CA7
SCHEMBL8430256 0.88 CA2 (0.40) MIFCES2CA2CA1CA7
SCHEMBL8430301 0.88 CA2 (0.40) MIFCES2CA2CA1CA7
SCHEMBL8428479 0.88 CA1 (0.35) CES2CA2CA1CA7CA4
SCHEMBL8428341 0.88 CA1 (0.35) CES2CA2CA1CA7CA4
SCHEMBL8432426 0.87 CA2 (0.40) MIFCES2CA2CA1CA7
SCHEMBL8428477 0.84 CA2 (0.39) MIFCES2CA2CA1CA7

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-5965619-A ADMINISTERING AN INDENE DERIVATIVE OF GIVEN FORMULA, SUCH AS 1-(2,4,6-TRIMETHOXYBENZYLIDENE)-5-DIMETHYLAMINO-2-METHYL-3-INDENYL ACETIC ACID, TO TREAT PRECANCEROUS LESIONS SUCH AS COLONIC ADENOMATOUS POLYPS; SIDE EFFECT REDUCTION CELL PATHWAYS INC. (US) 1999-10-12 — — US disclosed
EP-0142801-B1 INDENE DERIVATIVES USEFUL AS PAF-ANTAGONISTS MERCK & CO. INC. (US) 1989-05-31 — — EP disclosed
US-4656190-A PLATELET ACTIVATING FACTOR MERCK & CO., INC. (US) 1987-04-07 — — US disclosed
EP-0142801-A2 Indene derivatives useful as paf-antagonists MERCK & CO. INC. (US) 1985-05-29 — — EP disclosed
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