SCHEMBL8610137

SCHEMBL8610137

COCCCNCC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TSHR P16473 1/20 0.42
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 6/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
DGAT1 O75907 1/20 0.34

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
Hydrochloric Acid SCHEMBL9234601 0.98 MAOA (0.43) MAOAMAOBTSHRALDH1A1KDM4E
SCHEMBL7282196 0.89 ALDH1A1 (0.42) MAOAMAOBTSHRALDH1A1KDM4E
SCHEMBL16086532 0.84 TSHR (0.44) MAOAMAOBTSHRALDH1A1KDM4E
SCHEMBL7899608 0.83 TSHR (0.48) TSHRALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL6535041 0.82 MAOA (0.44) MAOAMAOBMEN1KMT2ACA12
SCHEMBL7432213 0.82 TSHR (0.48) MAOAMAOBTSHRALDH1A1LMNA
SCHEMBL25207862 0.81 TDP1 (0.49) MAOAMAOBKDM4EMEN1KMT2A
SCHEMBL1566844 0.81 MAOA (0.46) MAOAMAOBTSHRALDH1A1MEN1
SCHEMBL9891443 0.81 MAOA (0.46) MAOAMAOBTSHRRECQLMEN1
SCHEMBL7429955 0.81 TSHR (0.47) MAOAMAOBTSHRALDH1A1LMNA

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-0656349-B1 Amidinophenol derivatives having phospholipase A2 inhibitory activity ONO PHARMACEUTICAL CO (JP) 1998-04-08 EP claimed
EP-0656349-B1 Amidinophenol derivatives having phospholipase A2 inhibitory activity ONO PHARMACEUTICAL CO (JP) 1998-04-08 EP disclosed
US-5514713-A Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 US disclosed
EP-0656349-A1 Amidinophenol derivatives having phospholipase A2 inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed