SCHEMBL7480900

SCHEMBL7480900

COc1ccccc1OC(C)CO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
KMT2A Q03164 2/20 0.55
CYP1A2 P05177 2/20 0.53
AGTR1 P30556 1/20 0.53
LMNA P02545 1/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A2 P23975 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL11303009 0.92 MTNR1A (0.47) MTNR1AMTNR1BKMT2ACYP1A2AGTR1
SCHEMBL9676689 0.82 SMN1; SMN2 (0.47) MTNR1AMTNR1BKMT2ACYP1A2AGTR1
SCHEMBL29941669 0.82 CYP1A2 (0.55) MTNR1AMTNR1BKMT2ACYP1A2AGTR1
SCHEMBL21618301 0.82 CYP1A2 (0.55) MTNR1AMTNR1BKMT2ACYP1A2AGTR1
SCHEMBL20832239 0.81 KMT2A (0.51) MTNR1AMTNR1BKMT2ACYP1A2AGTR1
SCHEMBL7412875 0.80 MTNR1A (0.54) MTNR1AMTNR1BKMT2ACYP1A2AGTR1
SCHEMBL11024920 0.80 MTNR1A (0.54) MTNR1AMTNR1BKMT2ACYP1A2AGTR1
SCHEMBL6703137 0.80 TSHR (0.48) MTNR1AMTNR1BCYP1A2AGTR1LMNA
SCHEMBL11022430 0.80 MTNR1A (0.54) MTNR1AMTNR1BKMT2ACYP1A2AGTR1
SCHEMBL14942932 0.80 CYP1A2 (0.53) MTNR1AMTNR1BKMT2ACYP1A2LMNA

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
US-20240409813-A1 METHOD FOR OBTAINING AN ANTIOXIDANT COMPOSITION FROM LIGNIN, LIGNIN LIQUOR OR BLACK LIQUOR FUNDACIÓN CENER (ES) 2024-12-12 US disclosed
EP-1178973-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia AB (SE) 2002-02-13 EP disclosed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2000-12-21 WO disclosed