SCHEMBL6555584

SCHEMBL6555584

CCOc1cccc(OCc2nc3ccccc3c(=O)n2Cc2ccccc2)c1OC(=O)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
HIF1A Q16665 8/20 0.48
HSD17B10 Q99714 1/20 0.47
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL6555842 0.86 TSHR (0.52) HIF1AHSD17B10RAB9AUSP2ALDH1A1
SCHEMBL6557887 0.85 HTR7 (0.51) HIF1AHSD17B10RAB9AUSP2ALDH1A1
SCHEMBL6557586 0.84 KDM4E (0.52) HIF1AHSD17B10RAB9AUSP2ALDH1A1
SCHEMBL6555851 0.82 MAPT (0.47) HIF1AMAPTALDH1A1LMNAKDM4E
SCHEMBL6555790 0.81 MEN1 (0.52) HIF1AHSD17B10RAB9AUSP2ALDH1A1
SCHEMBL6557412 0.80 PDE10A (0.57) USP2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL6557988 0.80 L3MBTL1 (0.51) HSD17B10MAPTRAB9AUSP2ALDH1A1
SCHEMBL7636675 0.79 MRGPRX4 (0.57) MAPTRAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL6555761 0.79 EIF4EBP1 (0.52) MAPTALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL6557990 0.79 ACHE (0.45) HSD17B10

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