SCHEMBL13619973

SCHEMBL13619973

COc1ccc2c(C(=O)O)cn(CCC(C)C)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CNR2 P34972 6/20 0.48
CNR1 P21554 2/20 0.48
MAPT P10636 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
PKM P14618 1/20 0.43
CHRM1 P11229 1/20 0.42
HTR6 P50406 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL980636 0.83 KDM4E (0.70) HPGDKDM4EALDH1A1TSHRRAB9A
SCHEMBL2643935 0.82 PTGDR2 (0.43) ALDH1A1CNR2CNR1MAPTHTR6
SCHEMBL1127285 0.79 PLK1 (0.57) ALDH1A1TSHRCNR2CNR1MAPT
SCHEMBL5242703 0.78 ALDH1A1 (0.57) HPGDKDM4EALDH1A1TSHRRAB9A
SCHEMBL2643501 0.78 KDM4E (0.48) HPGDKDM4EALDH1A1TSHRRAB9A
SCHEMBL13619970 0.77 KMT2A (0.44) KDM4EALDH1A1CNR2CNR1
SCHEMBL11400833 0.76 KDM4E (0.63) HPGDKDM4EALDH1A1TSHRRAB9A
SCHEMBL12479744 0.76 KDM4E (0.48) HPGDKDM4EALDH1A1TSHRRAB9A
SCHEMBL12486165 0.75 KDM4E (0.82) HPGDKDM4EALDH1A1TSHRRAB9A
SCHEMBL10095268 0.74 ALDH1A1 (0.55) HPGDKDM4EALDH1A1TSHRRAB9A

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-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed