SCHEMBL7487453

SCHEMBL7487453

COCCOc1cc2c(cc1C(=O)OC)CCCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.43
CNR2 P34972 4/20 0.42
CNR1 P21554 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
PPARG P37231 3/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 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
SCHEMBL8195897 1.00 DHODH (0.43) DHODHCNR2CNR1KDM4EALDH1A1
SCHEMBL8196776 0.87 KDM4E (0.50) KDM4EALDH1A1MAPTHPGDPPARG
SCHEMBL7484801 0.82 RAB9A (0.42) DHODHCNR2CNR1HPGDPPARG
SCHEMBL7485052 0.81 KDM4C (0.37) CNR2CNR1KDM4EALDH1A1MAPT
SCHEMBL13028007 0.80 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDL3MBTL1
SCHEMBL26829548 0.78 ATM (0.46) DHODHKDM4EALDH1A1MAPTHPGD
SCHEMBL7534836 0.77 KMT2A (0.47) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL10879784 0.77 MAPT (0.55) CNR2CNR1KDM4EALDH1A1MAPT
SCHEMBL2888586 0.76 MAPT (0.49) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL13027979 0.75 KDM4E (0.54) KDM4EALDH1A1MAPTHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204644-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2000078725-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed