SCHEMBL6556016

SCHEMBL6556016

CCC(=O)Oc1c(O)cccc1OCc1nc2ccccc2c(=O)n1C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ACKR3 P25106 6/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC6 Q9UBN7 2/20 0.47
USP2 O75604 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC8 Q9BY41 1/20 0.44
PPARG P37231 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PDE10A Q9Y233 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
SCHEMBL6557586 0.91 KDM4E (0.52) L3MBTL1KDM4EALOX15TSHRTDP1
SCHEMBL6555842 0.91 TSHR (0.52) L3MBTL1KDM4EALOX15TSHRTDP1
SCHEMBL6557988 0.90 L3MBTL1 (0.51) L3MBTL1KDM4EALOX15TSHRTDP1
SCHEMBL6557322 0.88 KDM4E (0.52) L3MBTL1KDM4EALOX15TSHRTDP1
SCHEMBL6557964 0.87 ACKR3 (0.52) L3MBTL1KDM4EALOX15TSHRTDP1
SCHEMBL6557887 0.81 HTR7 (0.51) HSD17B10USP2RAB9AALDH1A1SMN1; SMN2
SCHEMBL6555790 0.78 MEN1 (0.52) HSD17B10USP2RAB9AALDH1A1SMN1; SMN2
SCHEMBL5345373 0.78 HTR1A (0.51) L3MBTL1TDP1RAB9ASMN1; SMN2
SCHEMBL6555584 0.78 PDE4A (0.50) KDM4ETSHRHSD17B10USP2RAB9A
SCHEMBL6555779 0.78 TNF (0.42) L3MBTL1KDM4EALOX15TSHRTDP1

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-1073643-B1 NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2004-12-29 EP disclosed