SCHEMBL5497954

SCHEMBL5497954

COc1cc(OC)cc(C(C)CO[C]=O)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 2/20 0.35
ABCB11 O95342 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
POLB P06746 1/20 0.32
TNF P01375 1/20 0.31

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
SCHEMBL5497959 0.75 ALDH1A1 (0.39) ALDH1A1KMT2AABCB11CYP1A1CYP1B1
SCHEMBL16973608 0.74 ADH1B (0.41) ALDH1A1KMT2ACYP1A1CYP1B1MTNR1A
SCHEMBL10138510 0.72 ALDH1A1 (0.50) ALDH1A1KMT2AABCB11CYP1A1CYP1B1
SCHEMBL113065 0.72 L3MBTL1 (0.44) ALDH1A1KMT2AMTNR1AMTNR1BPOLB
SCHEMBL21465394 0.72 L3MBTL1 (0.44) ALDH1A1KMT2AMTNR1AMTNR1BPOLB
SCHEMBL1133802 0.72 ALDH1A1 (0.44) ALDH1A1KMT2ACYP1A1CYP1B1
SCHEMBL424239 0.72 TAAR1 (0.47) ALDH1A1
SCHEMBL15418608 0.69 ALDH1A1 (0.46) ALDH1A1KMT2AABCB11CYP1A1CYP1B1
SCHEMBL8853 0.69 ALDH1A1 (0.46) ALDH1A1KMT2ACYP1A1CYP1B1POLB
SCHEMBL11183043 0.68 ALDH1A1 (0.44) ALDH1A1KMT2AABCB11CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156059-B1 Selectively cleavable linkers based on a methionine group and an ester group AVENTIS PHARMA INC (US) 2007-08-08 EP disclosed
EP-0751779-B1 SELECTIVELY CLEAVABLE LINKERS BASED ON IMINODIACETIC ACID ESTER BONDS SELECTIDE CORP (US) 2001-12-19 EP disclosed
EP-1156059-A1 Selectively cleavable linkers based on a methionine group and an ester group SELECTIDE CORPORATION (US) 2001-11-21 EP disclosed
EP-0751779-A4 SELECTIVELY CLEAVABLE LINKERS BASED ON IMINODIACETIC ACID ESTER BONDS SELECTIDE CORP (US) 1998-12-09 EP disclosed
EP-0751779-A1 SELECTIVELY CLEAVABLE LINKERS BASED ON IMINODIACETIC ACID ESTER BONDS SELECTIDE CORPORATION (US) 1997-01-08 EP disclosed
WO-1995000165-A1 SELECTIVELY CLEAVABLE LINKERS BASED ON IMINODIACETIC ACID ESTER BONDS SELECTIDE CORPORATION (US) 1995-01-05 WO disclosed