SCHEMBL9576299

SCHEMBL9576299

CCC(OC(=O)/C=C/C(=O)O)C(C)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.57
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 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
SCHEMBL9773642 1.00 HCAR2 (0.57) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL11746166 0.87 HCAR2 (0.59) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL6448412 0.87 HCAR2 (0.59) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL6448405 0.87 HCAR2 (0.59) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL9719196 0.85 HCAR2 (0.52) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL9347791 0.85 HCAR2 (0.52) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL9773737 0.84 HCAR2 (0.55) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL9576267 0.83 HCAR2 (0.50) HCAR2TSHRACHEBACE1
SCHEMBL451816 0.79 HCAR2 (0.63) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL769452 0.79 HCAR2 (0.57) HCAR2ALDH1A1GAATSHRTP53

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
EP-0219884-B1 HARD CONTACT LENS MATERIAL Tomei Sangyo Kabushiki Kaisha (JP) 1993-09-29 EP disclosed
US-5142009-A Crosslinked blend of fumaric acid diesters TOMEI SANGYO KABUSHIKI KAISHA (JP) 1992-08-25 US disclosed
US-4868260-A OXYGEN PERMEABILITY TOMEI SANGYO KABUSHIKI KAISHA (JP) 1989-09-19 US disclosed
EP-0219884-A2 Hard contact lens material Tomei Sangyo Kabushiki Kaisha (JP) 1987-04-29 EP disclosed