SCHEMBL14250613

SCHEMBL14250613

COc1ccccc1CC(C)C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
HPGD P15428 4/20 0.51
HTT P42858 1/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HDAC1 Q13547 1/20 0.47
ANPEP P15144 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46

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
SCHEMBL1419560 0.86 KMT2A (0.53) MTNR1AMTNR1BHPGDHTTTSHR
SCHEMBL14678382 0.85 HPGD (0.54) MTNR1AMTNR1BHPGDHTTTSHR
SCHEMBL6695813 0.84 MTNR1A (0.53) MTNR1AMTNR1BHPGDHTTTSHR
SCHEMBL14251417 0.83 L3MBTL1 (0.51) TSHRALDH1A1POLBKMT2AMEN1
SCHEMBL23987637 0.83 MTNR1A (0.56) MTNR1AMTNR1BHPGDHTTTSHR
SCHEMBL747405 0.82 TSHR (0.51) MTNR1AMTNR1BHPGDHTTTSHR
SCHEMBL4282666 0.81 MTNR1A (0.50) MTNR1AMTNR1BHPGDHTTTSHR
SCHEMBL17478028 0.81 MTNR1A (0.50) MTNR1AMTNR1BHPGDHTTALDH1A1
SCHEMBL14874304 0.81 HPGD (0.50) MTNR1AMTNR1BHPGDHTTTSHR
SCHEMBL27942554 0.79 MTNR1A (0.51) MTNR1AMTNR1BHPGDHTTTSHR

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
EP-2721019-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2014-04-23 EP disclosed
WO-2012171337-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-12-20 WO disclosed