SCHEMBL4969079

SCHEMBL4969079

CCn1cc(C(=O)O)c(=O)c2cc(N)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
HPGD P15428 5/20 0.68
ALDH1A1 P00352 5/20 0.68
HSD17B10 Q99714 4/20 0.68
TSHR P16473 3/20 0.68
RAB9A P51151 1/20 0.68
LMNA P02545 6/20 0.66
HTT P42858 2/20 0.66
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
APEX1 P27695 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
DRD3 P35462 1/20 0.50
ABCC4 O15439 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
POLB P06746 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49

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
SCHEMBL10993573 0.89 KDM4E (0.57) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL7057692 0.84 KDM4E (0.70) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL3979676 0.84 KDM4E (0.70) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL3810029 0.84 LMNA (0.74) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL11948562 0.83 KDM4E (0.68) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL17189835 0.83 KDM4E (0.68) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL3006540 0.83 KDM4E (0.68) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL9027382 0.83 KDM4E (0.68) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL30390219 0.83 KDM4E (0.68) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL27693950 0.83 LMNA (0.73) KDM4EHPGDALDH1A1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879903-A1 ETHER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2008-01-23 EP disclosed
WO-2006120541-A1 ETHER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (US) 2006-11-16 WO disclosed