SCHEMBL7563193

SCHEMBL7563193

CC(C)(C)c1cc(C(=O)OCCO)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
TYR P14679 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TNFRSF1A P19438 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
SLC7A5 Q01650 1/20 0.34
MAOB P27338 1/20 0.34
SERPINE1 P05121 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 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
SCHEMBL4835939 0.91 ESR1 (0.41) F2RNPC1RAB9APOLBLMNA
SCHEMBL29015779 0.87 ESR1 (0.49) F2RNPC1RAB9AALDH1A1LMNA
SCHEMBL31390244 0.87 ESR1 (0.49) F2RNPC1RAB9AALDH1A1LMNA
SCHEMBL28539888 0.85 RAB9A (0.42) F2RNPC1RAB9APOLBL3MBTL1
SCHEMBL13700658 0.83 MEN1 (0.34) RAB9ASMN1; SMN2LMNASLC7A5ALOX5
SCHEMBL9680007 0.82 NPC1 (0.45) F2RNPC1RAB9APOLBL3MBTL1
SCHEMBL3070560 0.81 ALOX5 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL226646 0.81 NPC1 (0.45) F2RNPC1RAB9APOLBALDH1A1
SCHEMBL29351738 0.81 NPC1 (0.45) F2RNPC1RAB9APOLBALDH1A1
SCHEMBL19138732 0.80 F2R (0.48) F2RNPC1RAB9APOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1199185-A1 THERMAL RECORDING MATERIAL Nippon Steel Chemical Co., Ltd. (JP) 2002-04-24 EP disclosed