SCHEMBL8834938

SCHEMBL8834938

NCCOc1ccccc1OCCN

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.95
HTR1B P28222 2/20 0.65
MAPK1 P28482 2/20 0.63
TP53 P04637 1/20 0.63
RAB9A P51151 1/20 0.63
TAAR1 Q96RJ0 1/20 0.61
HPGD P15428 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 2/20 0.52
JAK2 O60674 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
LTA4H P09960 2/20 0.52
PLA2G2A P14555 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL31050988 1.00 KDM4E (0.95) KDM4EHTR1BMAPK1TP53RAB9A
SCHEMBL401448 0.89 KDM4E (0.75) KDM4EHTR1BMAPK1TP53RAB9A
SCHEMBL3347860 0.89 KDM4E (0.75) KDM4EHTR1BMAPK1TP53RAB9A
Hydrochloric Acid SCHEMBL1623557 0.87 KDM4E (0.79) KDM4EHTR1BMAPK1TP53RAB9A
SCHEMBL11763590 0.86 KDM4E (0.73) KDM4EHTR1BMAPK1TP53RAB9A
SCHEMBL29196915 0.85 KDM4E (0.71) KDM4EHTR1BMAPK1TP53RAB9A
SCHEMBL3174750 0.85 KDM4E (0.71) KDM4EHTR1BMAPK1TP53RAB9A
SCHEMBL11427361 0.85 KDM4E (0.69) KDM4EHTR1BMAPK1TP53RAB9A
Hydrochloric Acid SCHEMBL4729179 0.85 KDM4E (0.76) KDM4EHTR1BMAPK1TP53RAB9A
SCHEMBL7141620 0.85 KDM4E (0.69) KDM4EHTR1BMAPK1TP53RAB9A

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
JP-9316163-A None JP disclosed
JP-H09316163-A POLYURETHANE TOYOBO CO LTD 1997-12-09 JP disclosed
WO-1995010545-A1 FUEL AND LUBRICANT ADDITIVES DERIVED FROM DIHYDROXYAROMATIC COMPOUNDS EXXON CHEMICAL PATENTS INC. (US) 1995-04-20 WO disclosed