SCHEMBL7225893

SCHEMBL7225893

C=CCCCCCC(CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 4/20 0.33
ATM Q13315 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 2/20 0.32
CYP3A4 P08684 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
SCHEMBL7225770 0.99 LMNA (0.36) LMNAALDH1A1MEN1KMT2ACYP4F2
SCHEMBL5354722 0.96 MEN1 (0.35) LMNAALDH1A1MEN1KMT2ACYP4F2
SCHEMBL7220486 0.96 MEN1 (0.35) LMNAALDH1A1MEN1KMT2ACYP4F2
SCHEMBL7236425 0.91 LMNA (0.40) LMNAALDH1A1MEN1KMT2ACYP4F2
SCHEMBL5353749 0.90 LMNA (0.39) LMNAALDH1A1MEN1KMT2ACYP4F2
SCHEMBL6936029 0.90 LMNA (0.39) LMNAALDH1A1MEN1KMT2ACYP4F2
SCHEMBL5352192 0.88 MEN1 (0.39) LMNAALDH1A1MEN1KMT2ACYP4F2
SCHEMBL7227354 0.82 CPB2 (0.37) LMNAALDH1A1CYP4F2CYP4A11MAPT
SCHEMBL4018595 0.82 MEN1 (0.50) LMNAALDH1A1MEN1KMT2ACYP4F2
SCHEMBL5354157 0.81 CPB2 (0.38) LMNAALDH1A1MAPTSMN1; SMN2USP2

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
US-6552069-B1 Having anti-estrogenic activity; for use in therapy CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-22 US disclosed
EP-1241166-A1 3-METHYL-CHROMAN AND -THIOCHROMAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP disclosed