SCHEMBL8469779

SCHEMBL8469779

CCOC(=O)Cc1ccc(OCC2=NCCN2)cc1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 5/20 0.47
▸ ADRA1D P25100 4/20 0.47
▸ ADRA1B P35368 4/20 0.47
▸ NISCH Q9Y2I1 7/20 0.47
▸ MAOB P27338 3/20 0.43
▸ MAOA P21397 1/20 0.43
▸ HTR1A P08908 2/20 0.40
▸ ADRA2A P08913 2/20 0.40
▸ ADRA2B P18089 2/20 0.40
▸ ADRA2C P18825 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL11382505 0.76 KDM4E (0.44) ALDH1A1GAAKDM4ETP53GLA
SCHEMBL25386200 0.74 ALDH1A1 (0.52) MAOBALDH1A1GAAKDM4ETP53
Hydrochloric Acid SCHEMBL8472028 0.72 HSD17B10 (0.46) ALDH1A1GAAKDM4ETP53GLA
SCHEMBL11377800 0.71 CA12 (0.64) MAOBMAOAALDH1A1GAAMAPT
SCHEMBL10516254 0.70 TSHR (0.49) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL11377802 0.69 KDM4E (0.50) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL10514738 0.68 RAB9A (0.48) MAOBALDH1A1KDM4EMAPTMAPK1
SCHEMBL10514703 0.68 MAPK1 (0.48) MAOBALDH1A1KDM4EMAPTHPGD
SCHEMBL11377261 0.68 ALDH1A1 (0.49) ALDH1A1KDM4ETP53MAPTMAPK1
SCHEMBL3168948 0.67 NISCH (0.73) ADRA1AADRA1DADRA1BNISCHMAOB

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
US-5962695-A ANTICOAGULANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 — — US disclosed
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 — — US disclosed
Send feedback