SCHEMBL9576286

SCHEMBL9576286

CCC(OC(=O)C=CC(=O)O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 11/20 0.52
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL9576272 1.00 HCAR2 (0.52) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL9576273 0.92 HCAR2 (0.39) HCAR2TSHRGABRA1GABRG2GABRB3
SCHEMBL10493959 0.89 HCAR2 (0.46) HCAR2
SCHEMBL9709339 0.83 HCAR2 (0.53) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL9709350 0.83 HCAR2 (0.53) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL28140358 0.83 HCAR2 (0.53) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL10457585 0.83 HCAR2 (0.49) HCAR2TSHRMAPTATM
SCHEMBL10457586 0.83 HCAR2 (0.49) HCAR2TSHRMAPTATM
SCHEMBL10457671 0.81 HCAR2 (0.47) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL10457668 0.81 HCAR2 (0.47) HCAR2TSHRTP53EGLN1EGLN3

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-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
EP-0219884-A2 Hard contact lens material Tomei Sangyo Kabushiki Kaisha (JP) 1987-04-29 EP disclosed