SCHEMBL9829017

SCHEMBL9829017

O=C(O)CCCCCCCNC(=O)c1ccc(O)nc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.69
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HDAC6 Q9UBN7 6/20 0.60
POLB P06746 3/20 0.59
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 1/20 0.52
FOLH1 Q04609 2/20 0.52
HPGD P15428 1/20 0.51
HDAC1 Q13547 6/20 0.49
HDAC3 O15379 5/20 0.49
HDAC4 P56524 5/20 0.49
HDAC7 Q8WUI4 5/20 0.49
HDAC2 Q92769 5/20 0.49
HDAC10 Q969S8 5/20 0.49
HDAC8 Q9BY41 5/20 0.49
HDAC5 Q9UQL6 5/20 0.49
HDAC11 Q96DB2 4/20 0.49

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
SCHEMBL10099585 1.00 MAPK1 (0.69) MAPK1CYP1A2CYP2C9CYP2C19HDAC6
SCHEMBL12999515 0.88 CA1 (0.51) MAPK1CYP1A2CYP2C9CYP2C19HDAC6
SCHEMBL10099596 0.84 L3MBTL1 (0.61) MAPK1KDM4EALDH1A1SMN1; SMN2CA2
SCHEMBL428355 0.83 MAPK1 (1.00) MAPK1CYP1A2CYP2C9CYP2C19HDAC6
SCHEMBL13286818 0.83 KDM4E (0.53) POLBKDM4ELMNASMN1; SMN2
SCHEMBL8031999 0.82 MAPK1 (0.64) MAPK1CYP1A2CYP2C9CYP2C19HDAC6
SCHEMBL21597883 0.81 MAPK1 (0.62) MAPK1CYP1A2CYP2C9CYP2C19HDAC6
SCHEMBL31711018 0.81 KDM4E (0.45) MAPK1CYP1A2CYP2C9CYP2C19HDAC6
SCHEMBL31710886 0.81 KDM4E (0.45) MAPK1CYP1A2CYP2C9CYP2C19HDAC6
SCHEMBL27144051 0.81 KDM4E (0.45) MAPK1CYP1A2CYP2C9CYP2C19HDAC6

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