SCHEMBL8716110

SCHEMBL8716110

CCOC(=O)c1occ2cc(N)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
KDM4E B2RXH2 3/20 0.45
AHR P35869 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 4/20 0.40
GAA P10253 4/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 1/20 0.40
AKR1B1 P15121 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL9121263 0.84 MAOA (0.49) CYP1A2MAOAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7628834 0.83 ALDH1A1 (0.47) LMNAKDM4EAHRSMN1; SMN2ALDH1A1
SCHEMBL1511820 0.82 KDM4E (0.51) LMNAKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL29120037 0.81 CYP4F2 (0.50) CYP1A2KDM4EAHRSMN1; SMN2ALDH1A1
SCHEMBL8713685 0.80 SMN1; SMN2 (0.40) LMNAKDM4EAHRSMN1; SMN2ALDH1A1
SCHEMBL9684011 0.79 KDM4E (0.52) LMNACYP1A2KDM4EAHRSMN1; SMN2
SCHEMBL9216355 0.77 AKR1B1 (0.38) KDM4EAHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL8718013 0.76 SMN1; SMN2 (0.37) KDM4EAHRSMN1; SMN2ALDH1A1GAA
SCHEMBL11453854 0.76 MMP2 (0.37) KDM4EAHRAKR1B1
SCHEMBL11465382 0.75 PRKCZ (0.45) LMNACYP1A2KDM4ESMN1; SMN2ALDH1A1

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
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed