SCHEMBL9838103

SCHEMBL9838103

COC(=O)c1ccccc1NCCCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.66
GLA P06280 1/20 0.66
ALDH1A1 P00352 3/20 0.55
GAA P10253 1/20 0.55
POLB P06746 1/20 0.53
ATM Q13315 1/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
ALOX15 P16050 1/20 0.53
KDM6B O15054 2/20 0.52
KDM4C Q9H3R0 2/20 0.52
TSHR P16473 3/20 0.51
LMNA P02545 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 2/20 0.51
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TRPA1 O75762 1/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL22763971 0.91 KDM4E (0.69) KDM4EGLAALDH1A1GAAPOLB
SCHEMBL28588223 0.86 KDM4E (0.56) KDM4EGLAALDH1A1POLBATM
SCHEMBL4897624 0.84 KDM6B (0.69) KDM4EALDH1A1POLBKMT2AMAPT
SCHEMBL10363534 0.83 KDM4E (0.71) KDM4EALDH1A1GAAPOLBKMT2A
SCHEMBL28672732 0.83 KDM4E (0.71) KDM4EGLAALDH1A1GAAPOLB
SCHEMBL27829693 0.83 KDM4E (0.82) KDM4EGLAALDH1A1GAAPOLB
SCHEMBL5928710 0.82 KDM4E (0.69) KDM4EGLAALDH1A1GAAPOLB
SCHEMBL28618228 0.82 KDM4E (0.69) KDM4EGLAALDH1A1GAAPOLB
SCHEMBL27829710 0.82 KDM4E (0.79) KDM4EGLAALDH1A1GAAPOLB
SCHEMBL22854454 0.81 ALDH1A1 (0.68) KDM4EGLAALDH1A1GAAPOLB

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
US-4994493-A Treatment of cerebral edema MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN (DE) 1991-02-19 US disclosed