SCHEMBL13700438

SCHEMBL13700438

COC(=O)c1ccc2nn(-c3cc(CCO)cc(C(C)C)c3O)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 5/20 0.42
CYP4F2 P78329 4/20 0.42
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSP90AA1 P07900 2/20 0.35
NPC1 O15118 3/20 0.35
HSP90AB1 P08238 1/20 0.34
CNR2 P34972 1/20 0.34
RAB9A P51151 3/20 0.34
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL13700440 0.91 CYP4F2 (0.38) CYP4A11CYP4F2KDM4EALDH1A1LMNA
SCHEMBL13700416 0.89 ACE2 (0.36) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL13700424 0.88 JAK2 (0.33) CYP4A11CYP4F2KDM4EALDH1A1LMNA
SCHEMBL13700411 0.86 CYP4A11 (0.44) CYP4A11CYP4F2KDM4EALDH1A1LMNA
SCHEMBL13700442 0.86 HSP90AA1 (0.37) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL13700465 0.84 CYP4A11 (0.43) CYP4A11CYP4F2KDM4EALDH1A1LMNA
SCHEMBL13700445 0.84 LMNA (0.45) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL13700457 0.84 CYP4A11 (0.42) CYP4A11CYP4F2KDM4EALDH1A1LMNA
SCHEMBL13700502 0.83 CYP4A11 (0.41) CYP4A11CYP4F2KDM4EALDH1A1LMNA
SCHEMBL13700410 0.83 KDM4E (0.35) KDM4EALDH1A1LMNAMAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324399-B2 Heat resistance improver and reversible thermosensitive recording medium RICOH COMPANY, LTD. (JP) 2012-12-04 US disclosed
US-20090239747-A1 HEAT RESISTANCE IMPROVER AND REVERSIBLE THERMOSENSITIVE RECORDING MEDIUM RICOH COMPANY, LTD. (JP) 2009-09-24 US disclosed