SCHEMBL9830686

SCHEMBL9830686

O=C(O)CCCCCNC(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.65
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
TRPV1 Q8NER1 2/20 0.55
LMNA P02545 2/20 0.54
HPGD P15428 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
LTA4H P09960 1/20 0.52
EPHX2 P34913 1/20 0.52
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 2/20 0.50
HDAC3 O15379 1/20 0.50

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
SCHEMBL6349089 0.86 ATM (0.87) ATMCNR1TRPV1LMNAHPGD
SCHEMBL5656019 0.86 ATM (0.87) ATMCNR1TRPV1LMNAHPGD
SCHEMBL9828506 0.85 ATM (0.65) ATMTRPV1LMNAHPGDCYP1A2
SCHEMBL9829797 0.84 ATM (0.69) ATMTRPV1LMNAHPGDALDH1A1
SCHEMBL6793462 0.84 PYGL (0.66) ATMTRPV1LMNAMAPK1SMN1; SMN2
SCHEMBL9827968 0.84 ATM (0.90) ATMCNR1TRPV1LMNAHPGD
SCHEMBL1231675 0.84 ATM (0.72) ATMTRPV1LMNAHPGDKMT2A
SCHEMBL3995030 0.83 TRPV1 (0.65) CNR1CNR2TRPV1LMNAHPGD
SCHEMBL24969912 0.82 ATM (0.61) ATMTRPV1LMNAHPGDCYP1A2
SCHEMBL4363116 0.81 HDAC1 (0.64) ATMTRPV1LTA4HHDAC3HDAC4

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