SCHEMBL29629244

SCHEMBL29629244

C/C(=C\C(O)c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
AOC3 Q16853 1/20 0.37
LMNA P02545 4/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALPG P10696 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MAPT P10636 2/20 0.34
PTBP1 P26599 1/20 0.34
KMT2A Q03164 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL800185 0.82 AOC3 (0.40) AOC3
SCHEMBL29629260 0.78 NQO2 (0.51) PTGS1PTGS2AOC3ALDH1A1SMN1; SMN2
SCHEMBL12197989 0.78 ALOX5 (0.44) ALOX5PTGS1PTGS2LMNAALDH1A1
SCHEMBL29016298 0.76 LMNA (0.41) LMNAALDH1A1CES2CES1TDP1
SCHEMBL11526523 0.76 LMNA (0.41) LMNAALDH1A1CES2CES1TDP1
SCHEMBL28365870 0.72 ALOX5 (0.50) ALOX5PTGS1PTGS2LMNASMN1; SMN2
SCHEMBL6921262 0.72 ALOX5 (0.50) ALOX5PTGS1PTGS2LMNASMN1; SMN2
SCHEMBL4791126 0.72 ALOX5 (0.50) ALOX5PTGS1PTGS2LMNASMN1; SMN2
SCHEMBL24554823 0.72 MAPT (0.50) PTGS1PTGS2LMNAALDH1A1SMN1; SMN2
SCHEMBL8773918 0.69 MEN1 (0.52) AOC3ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114426564-B Chiral ferrocene phosphine-1, 2-diphenyl ethylenediamine ligand and preparation method and application thereof 中国科学院大连化学物理研究所 2023-09-08 CN disclosed
CN-114426564-A Chiral ferrocenyl phosphine-1, 2-diphenyl ethylene diamine ligand and preparation method and application thereof 中国科学院大连化学物理研究所 2022-05-03 CN disclosed