SCHEMBL13070720

SCHEMBL13070720

Bc1ccc(C(=O)CC)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.45
KMT2A Q03164 6/20 0.43
HPGDS O60760 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HSP90AB1 P08238 1/20 0.42
PTPN1 P18031 1/20 0.41
MEN1 O00255 5/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GMNN O75496 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
BLM P54132 2/20 0.39

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
SCHEMBL26349859 0.81 CNR1 (0.47) CNR1KMT2AHPGDSL3MBTL1HSP90AB1
SCHEMBL17037749 0.79 CNR2 (0.49) CNR1KMT2AHPGDSL3MBTL1HSP90AB1
SCHEMBL15587623 0.79 CYP1A2 (0.50) CNR1KMT2AHPGDSL3MBTL1HSP90AB1
SCHEMBL11811556 0.79 KMT2A (0.56) CNR1KMT2AHPGDSL3MBTL1HSP90AB1
SCHEMBL27931330 0.78 CNR1 (0.50) CNR1KMT2AHPGDSL3MBTL1HSP90AB1
SCHEMBL4114890 0.78 CNR1 (0.50) CNR1KMT2AHPGDSL3MBTL1HSP90AB1
SCHEMBL4098841 0.78 KMT2A (0.59) CNR1KMT2AHPGDSL3MBTL1HSP90AB1
SCHEMBL29473553 0.77 PTPN1 (0.67) CNR1KMT2APTPN1MEN1MAPT
SCHEMBL2124452 0.77 PTPN1 (0.67) CNR1KMT2APTPN1MEN1MAPT
SCHEMBL14495235 0.76 NR4A1 (0.57) L3MBTL1ALDH1A1CYP1A2CYP2C9HSD17B10

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
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed