SCHEMBL6581908

SCHEMBL6581908

CCc1ccc(C(=O)Nc2ccc(O)c(C(C)=O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 5/20 0.55
ALOX15 P16050 1/20 0.51
SIRT6 Q8N6T7 1/20 0.50
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50
PLAT P00750 1/20 0.50
KLKB1 P03952 1/20 0.50
PRSS1 P07477 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
ALDH1A1 P00352 1/20 0.49
PLK1 P53350 1/20 0.49
MAPT P10636 5/20 0.48
PKM P14618 2/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TOP1 P11387 1/20 0.47

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
SCHEMBL31376926 0.90 SIRT6 (0.62) NPC1RAB9AALOX15SIRT6F2
SCHEMBL6580185 0.87 TRPV1 (0.61) NPC1RAB9AALOX15TRPV1PLK1
SCHEMBL6580244 0.84 NPC1 (0.64) NPC1RAB9AALOX15F2PLAU
SCHEMBL11191768 0.83 RAB9A (0.55) NPC1RAB9AF2PLGPLAU
SCHEMBL6577799 0.83 ALOX15 (0.57) NPC1RAB9AALOX15SIRT6TRPV1
SCHEMBL6581728 0.83 ALOX15 (0.57) NPC1RAB9AALOX15SIRT6TRPV1
SCHEMBL6580139 0.82 NPC1 (0.63) NPC1RAB9AALOX15ALDH1A1MAPT
SCHEMBL6346820 0.82 KMT2A (0.65) NPC1RAB9AALOX15SIRT6MAPT
SCHEMBL6582685 0.80 MAPT (0.63) NPC1RAB9AALDH1A1PLK1MAPT
SCHEMBL6579798 0.80 NR1H4 (0.61) NPC1RAB9AALDH1A1MAPTTSHR

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-0716088-B1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL CO (JP) 2004-02-18 EP disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 EP disclosed