SCHEMBL9828792

SCHEMBL9828792

O=C(O)CCCCCCCNC(=O)c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.67
MAPK1 P28482 2/20 0.61
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
POLB P06746 3/20 0.54
ALDH1A1 P00352 3/20 0.52
TBXA2R P21731 1/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HDAC1 Q13547 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51

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
SCHEMBL29090804 0.82 LMNA (0.72) LMNAMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL5657986 0.82 LMNA (0.72) LMNAMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL30594162 0.82 LMNA (0.72) LMNAMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL30481056 0.82 LMNA (0.72) LMNAMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL19071835 0.82 LMNA (0.57) LMNAMAPK1ALDH1A1CA1CA2
SCHEMBL10865398 0.81 MAPK1 (0.86) LMNAMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL5655215 0.81 MAPK1 (0.86) LMNAMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL1231651 0.81 MAPK1 (0.86) LMNAMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL10659200 0.81 MAPK1 (0.86) LMNAMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL21320455 0.81 LMNA (0.70) LMNAMAPK1CYP1A2CYP2C9CYP2C19

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