SCHEMBL13700658

SCHEMBL13700658

CC(C)(C)c1cc(-n2nc3ccc(C(=O)OCCO)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
ALOX5 P09917 4/20 0.33
PTGS2 P35354 4/20 0.33
SIRT2 Q8IXJ6 2/20 0.33
SIRT1 Q96EB6 2/20 0.33
NTRK1 P04629 1/20 0.33
NTRK2 Q16620 1/20 0.33
RAB9A P51151 1/20 0.33
SLC7A5 Q01650 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9749017 0.89 RAD52 (0.40) MEN1KMT2ALMNARAB9ACA1
SCHEMBL7563193 0.83 F2R (0.40) SMN1; SMN2LMNAALOX5PTGS2RAB9A
SCHEMBL1547141 0.82 RXRA (0.40) LMNAALOX5PTGS2TDP1
SCHEMBL11077606 0.82 ALOX5 (0.37) MEN1KMT2ASMN1; SMN2LMNAALOX5
SCHEMBL13700448 0.81 CYP4F2 (0.38) SMN1; SMN2LMNASIRT2SIRT1RAB9A
SCHEMBL28348260 0.78 ESR1 (0.42) RAB9A
SCHEMBL30313741 0.78 ESR1 (0.42) RAB9A
SCHEMBL13700457 0.78 CYP4A11 (0.42) MEN1KMT2ASMN1; SMN2LMNARAB9A
SCHEMBL712969 0.77 NPC1 (0.38) MEN1KMT2ASMN1; SMN2LMNAALOX5
SCHEMBL29706577 0.77 NPC1 (0.38) MEN1KMT2ASMN1; SMN2LMNAALOX5

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-2103445-B1 Heat resistance improver and reversible thermosensitive recording medium RICOH CO LTD (JP) 2015-05-06 EP disclosed
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