SCHEMBL4217650

SCHEMBL4217650

CCCCCCCCCCCCCCCCCCCC(=O)OCc1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.59
▸ HSP90AA1 P07900 2/20 0.50
▸ HCAR2 Q8TDS4 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ P2RX7 Q99572 1/20 0.48
▸ GRM5 P41594 1/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP12 P39900 1/20 0.47
▸ DGKA P23743 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL4218833 1.00 EPHX2 (0.59) EPHX2HSP90AA1HCAR2ALDH1A1KDM4E
SCHEMBL4219009 1.00 EPHX2 (0.59) EPHX2HSP90AA1HCAR2ALDH1A1KDM4E
SCHEMBL4207691 1.00 EPHX2 (0.59) EPHX2HSP90AA1HCAR2ALDH1A1KDM4E
SCHEMBL4532378 1.00 EPHX2 (0.59) EPHX2HSP90AA1HCAR2ALDH1A1KDM4E
SCHEMBL4201810 1.00 EPHX2 (0.59) EPHX2HSP90AA1HCAR2ALDH1A1KDM4E
SCHEMBL4212732 0.86 DGKA (0.49) EPHX2ALDH1A1DGKAMEN1HPGD
SCHEMBL4217087 0.86 DGKA (0.49) EPHX2ALDH1A1DGKAMEN1HPGD
SCHEMBL4217434 0.86 DGKA (0.49) EPHX2ALDH1A1DGKAMEN1HPGD
SCHEMBL4204618 0.86 DGKA (0.49) EPHX2ALDH1A1DGKAMEN1HPGD
SCHEMBL4214102 0.86 DGKA (0.49) EPHX2ALDH1A1DGKAMEN1HPGD

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-7494537-B2 Thermochromic coloring color-memory composition and thermochromic coloring color-memory microcapsule pigment containing the same THE PILOT INK CO., LTD. (JP) 2009-02-24 — — US disclosed
EP-1657073-B1 Reversible thermochromic composition and microcapsules containing the same PILOT INK CO LTD (JP) 2008-02-27 — — EP disclosed
US-20060112851-A1 Thermochromic coloring color-memory composition and thermochromic coloring color-memory microcapsule pigment containing the same THE PILOT INK CO., LTD. 2006-06-01 — — US disclosed
EP-1657073-A2 Reversible thermochromic composition and microcapsules containing the same THE PILOT INK CO., LTD. (JP) 2006-05-17 — — EP disclosed
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