SCHEMBL7366948

SCHEMBL7366948

COc1ccc(CCN)cc1OCCCCO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.66
ATM Q13315 1/20 0.66
TSHR P16473 2/20 0.58
TAAR1 Q96RJ0 2/20 0.58
MAPK1 P28482 1/20 0.58
LMNA P02545 2/20 0.56
GLA P06280 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
NFKB1 P19838 1/20 0.56
MEN1 O00255 1/20 0.55
APEX1 P27695 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP19A1 P11511 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.48
TUBB1 Q9H4B7 1/20 0.47
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46

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
SCHEMBL7989079 0.87 KDM4E (0.68) KDM4EATMTSHRTAAR1MAPK1
SCHEMBL15800866 0.85 KDM4E (0.70) KDM4EATMTSHRTAAR1MAPK1
SCHEMBL3851266 0.83 ATM (0.72) KDM4EATMTSHRTAAR1MAPK1
SCHEMBL29351641 0.81 ATM (1.00) KDM4EATMTSHRTAAR1MAPK1
SCHEMBL210639 0.81 ATM (1.00) KDM4EATMTSHRTAAR1MAPK1
SCHEMBL7988793 0.80 KDM4E (0.62) KDM4EATMTSHRTAAR1MAPK1
SCHEMBL1223578 0.80 KDM4E (0.77) KDM4EATMTSHRTAAR1MAPK1
SCHEMBL5688791 0.79 KDM4E (0.66) KDM4EATMTSHRTAAR1MAPK1
SCHEMBL9275394 0.79 ALDH1A1 (0.57) KDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL4860600 0.79 KDM4E (0.61) KDM4EATMCYP1A2CYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538384-A4 OXAMIDES SMITHKLINE BEECHAM CORP (US) 1995-04-12 EP disclosed
US-5393788-A Phenylalkyl oxamides SMITHKLINE BEECHAM CORPORATION (US) 1995-02-28 US disclosed
EP-0538384-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-28 EP disclosed
WO-1992000968-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 WO disclosed