SCHEMBL22332007

SCHEMBL22332007

COC(COCc1ccccc1)CC(C)C=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.44
SLC1A1 P43005 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
TACR1 P25103 3/20 0.39
MEN1 O00255 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CTSB P07858 1/20 0.37

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
SCHEMBL28423002 0.83 KMT2A (0.39) KMT2AHTTSLC1A1TSHRMAPT
SCHEMBL7627184 0.82 TSHR (0.50) KMT2AHTTSLC1A1TSHRCA1
SCHEMBL5228321 0.82 TSHR (0.50) KMT2AHTTSLC1A1TSHRCA1
SCHEMBL121000 0.82 TSHR (0.50) KMT2AHTTSLC1A1TSHRCA1
SCHEMBL12744032 0.81 TSHR (0.56) KMT2AHTTSLC1A1TSHRNPC1
SCHEMBL13405408 0.80 KMT2A (0.58) KMT2AHTTSLC1A1TSHRNPC1
SCHEMBL3374459 0.79 HTT (0.46) KMT2AHTTSLC1A1TSHRNPC1
SCHEMBL2308784 0.79 HTT (0.46) KMT2AHTTSLC1A1TSHRNPC1
SCHEMBL3080039 0.78 TSHR (0.48) KMT2AHTTSLC1A1TSHRNPC1
SCHEMBL28589416 0.76 HTT (0.49) KMT2AHTTSLC1A1TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709613-B2 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2020-08-12 EP disclosed