SCHEMBL29090107

SCHEMBL29090107

FC(F)(F)c1ccc(OC2CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.59
EPHX2 P34913 4/20 0.54
FPR2 P25090 1/20 0.46
PROKR1 Q8TCW9 1/20 0.46
LIPE Q05469 1/20 0.46
ADRB2 P07550 1/20 0.45
MMP13 P45452 4/20 0.44
MMP2 P08253 3/20 0.44
MMP12 P39900 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NAAA Q02083 1/20 0.42
MAOB P27338 1/20 0.42
BCL2A1 Q16548 1/20 0.41

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
SCHEMBL16839494 0.92 TEAD1 (0.52) TEAD1EPHX2FPR2PROKR1LIPE
SCHEMBL23230634 0.92 TEAD1 (0.52) TEAD1EPHX2FPR2PROKR1LIPE
SCHEMBL16579467 0.91 TEAD1 (0.52) TEAD1EPHX2FPR2PROKR1LIPE
SCHEMBL22731878 0.91 TEAD1 (0.52) TEAD1EPHX2FPR2PROKR1LIPE
SCHEMBL18798926 0.91 TEAD1 (0.56) TEAD1EPHX2FPR2PROKR1LIPE
SCHEMBL649802 0.91 TEAD1 (0.52) TEAD1EPHX2FPR2PROKR1LIPE
SCHEMBL648451 0.91 TEAD1 (0.52) TEAD1EPHX2FPR2PROKR1LIPE
SCHEMBL16839457 0.90 TEAD1 (0.51) TEAD1EPHX2FPR2PROKR1LIPE
Hydrochloric Acid SCHEMBL30152387 0.89 TEAD1 (0.51) TEAD1EPHX2FPR2PROKR1LIPE
SCHEMBL2089029 0.87 TEAD1 (0.49) TEAD1EPHX2FPR2PROKR1LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116730784-A Synthesis method of malonic acid derivative 华南理工大学 2023-09-12 CN disclosed