SCHEMBL9830587

SCHEMBL9830587

O=C(O)CCCCCNC(=O)c1cccs1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.73
NPC1 O15118 6/20 0.65
CYP1A2 P05177 2/20 0.65
CYP2C9 P11712 2/20 0.65
CYP2C19 P33261 2/20 0.65
HPGD P15428 1/20 0.65
GAA P10253 2/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC3 O15379 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.60
RAB9A P51151 5/20 0.60
MAPK1 P28482 1/20 0.59
ALDH1A1 P00352 1/20 0.56
GLA P06280 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL14088974 1.00 KDM4E (0.73) KDM4ENPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9829545 0.98 KDM4E (0.76) KDM4ENPC1CYP1A2CYP2C9CYP2C19
SCHEMBL8144689 0.94 KDM4E (0.78) KDM4ENPC1CYP1A2CYP2C9CYP2C19
SCHEMBL6127192 0.91 KDM4E (0.89) KDM4ENPC1CYP1A2CYP2C9CYP2C19
SCHEMBL12491240 0.87 KDM4E (0.72) KDM4ENPC1CYP1A2CYP2C9CYP2C19
SCHEMBL24653254 0.84 KDM4E (0.68) KDM4ENPC1CYP1A2CYP2C9CYP2C19
SCHEMBL6928579 0.83 KDM4E (0.76) KDM4ENPC1CYP1A2CYP2C9CYP2C19
SCHEMBL5246151 0.81 KDM4E (0.78) KDM4ENPC1CYP1A2CYP2C9CYP2C19
SCHEMBL18906066 0.81 KDM4E (0.83) KDM4ENPC1CYP1A2CYP2C9CYP2C19
SCHEMBL711885 0.81 NPC1 (0.91) KDM4ENPC1CYP1A2CYP2C9CYP2C19

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
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed