SCHEMBL4606345

SCHEMBL4606345

CC(C)COC1C(Cl)(Cl)C(=O)C1(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CTSC P53634 1/20 0.36
CTSF Q9UBX1 1/20 0.36
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL7776542 0.84 CTSV (0.33) CTSVCTSLCTSBCTSSCTSK
SCHEMBL7778991 0.72 CTSV (0.36) CTSVCTSLCTSBCTSSCTSK
SCHEMBL20787033 0.66 ALDH1A1 (0.32) CTSVCTSLCTSBCTSSCTSK
SCHEMBL4607080 0.61 CTSV (0.40) CTSVCTSLCTSBCTSSCTSK
SCHEMBL7777875 0.61 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7028874 0.60 CTSV (0.38) CTSVCTSLCTSBCTSSCTSK
SCHEMBL7627326 0.60 CTSV (0.35) CTSVCTSLCTSBCTSSCTSK
SCHEMBL23005519 0.56 CTSV (0.39) CTSVCTSLCTSBCTSSCTSK
SCHEMBL12841653 0.56
SCHEMBL24769790 0.55 APLNR (0.32) CTSVCTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1010684-B1 PROCESS FOR PRODUCING 3,4-DIHYDROXY-3-CYCLOBUTENE-1,2-DIONE KYOWA YUKA KK (JP) 2008-07-16 EP disclosed
US-6331653-B1 Process for producing 3,4-dihydroxy-3-cyclobutene-1,2-dione KYOWA YUKA CO., LTD. (JP) 2001-12-18 US disclosed
EP-1010684-A1 PROCESS FOR PRODUCING 3,4-DIHYDROXY-3-CYCLOBUTENE-1,2-DIONE Kyowa Yuka Co., Ltd. (JP) 2000-06-21 EP disclosed