SCHEMBL3372532

SCHEMBL3372532

C=C(C)C(=O)OCCCOc1cc(N=Nc2ccccc2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 12/20 0.44
▸ POLB P06746 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PPARG P37231 9/20 0.40
▸ PPARD Q03181 6/20 0.39
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA10 Q9GZZ6 1/20 0.34
▸ CHRNA9 Q9UGM1 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TSHR P16473 1/20 0.32

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
SCHEMBL7629752 0.98 POLB (0.45) PPARAPOLBAPEX1HTTTDP1
SCHEMBL3367989 0.95 PPARA (0.42) PPARAPOLBAPEX1HTTTDP1
SCHEMBL7627033 0.92 TDP1 (0.40) PPARAPOLBAPEX1HTTTDP1
SCHEMBL7627057 0.91 POLB (0.39) PPARAPOLBAPEX1HTTTDP1
SCHEMBL7622471 0.91 TDP1 (0.38) PPARAPOLBAPEX1HTTTDP1
SCHEMBL7626546 0.88 POLB (0.39) PPARAPOLBAPEX1HTTTDP1
SCHEMBL7627025 0.87 PPARA (0.41) PPARAPOLBAPEX1HTTTDP1
SCHEMBL7628769 0.87 CYP1A2 (0.39) PPARAPOLBAPEX1HTTTDP1
SCHEMBL7631080 0.86 PPARA (0.41) PPARAPOLBAPEX1HTTTDP1
SCHEMBL7626454 0.85 CES2 (0.36) PPARAPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1750157-B1 CONTACT LENS MENICON CO LTD (JP) 2010-10-13 — — EP disclosed
US-7588334-B2 Contact lens MENICON CO., LTD. (JP) 2009-09-15 — — US disclosed
US-20070232755-A1 Contact Lens MENICON CO., LTD. (JP) 2007-10-04 — — US disclosed
EP-1750157-A1 CONTACT LENS MENICON CO., LTD. (JP) 2007-02-07 — — EP disclosed
EP-1030194-B1 Material for a soft intraocular lens MENICON CO LTD (JP) 2002-12-04 — — EP disclosed
US-6326448-B1 HYDROPHILIC MONOMER; LENSES MENICON CO., LTD. (JP) 2001-12-04 — — US disclosed
US-6320008-B2 COPOLYMER OF A (METH)ACRYLOYLOXYALKOXY-, VINYLPHENYLALKYLOXY-, OR VINYLPHENOXYALKOXY-SUBSTITUTED ARYLENEAZOARENE COMPOUND. MENICON CO., LTD. (JP) 2001-11-20 — — US disclosed
US-20010021759-A1 Polymeric colorant and colored material for ocular lens using the colorant MENICON CO., LTD. 2001-09-13 — — US disclosed
US-6242551-B1 SUCH AS CONTACT LENSES, INTRAOCULAR LENSES, AND ARTIFICIAL CORNEA; REDUCES SEPARATION OR ELUTION, CHEMICALLY STABLE, AND DOES NOT DENATURE UNDER HYDROLYSIS; MAINTAINS ORIGINAL COLOR TONE MENICON CO., LTD. (JP) 2001-06-05 — — US disclosed
EP-1030194-A1 Material for a soft intraocular lens Menicon Co., Ltd. (JP) 2000-08-23 — — EP disclosed
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