SCHEMBL6580254

SCHEMBL6580254

CCc1ccc(C(=O)Nc2cccc(C(C)=O)c2O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.53
SLC16A3 O15427 1/20 0.53
PPARA Q07869 1/20 0.53
HDAC3 O15379 1/20 0.49
NCOR1 O75376 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
PLK1 P53350 4/20 0.47
PLK3 Q9H4B4 3/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
DEGS1 O15121 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL6579934 0.87 PLK1 (0.61) TRPV1PLK1PLK3KDM4EABCG2
SCHEMBL6580460 0.85 NPC1 (0.48) SLC16A3KDM4ENPC1RAB9AGAA
SCHEMBL6579964 0.84 NPC1 (0.51) HDAC1TRPV1KDM4ELMNANPC1
SCHEMBL6581823 0.84 PLK1 (0.58) NR1H4SLC16A3PPARAHDAC3HDAC1
SCHEMBL6577993 0.84 PLK1 (0.61) SLC16A3HDAC3HDAC1HDAC2TRPV1
SCHEMBL6580357 0.84 NPC1 (0.55) NR1H4SLC16A3KDM4ENPC1RAB9A
SCHEMBL3381862 0.84 POLB (0.56) NR1H4HDAC3HDAC1HDAC2KDM4E
SCHEMBL3377996 0.83 NPC1 (0.59) TRPV1KDM4ELMNANPC1RAB9A
SCHEMBL6579947 0.83 NPC1 (0.67) PLK1KDM4ELMNANPC1RAB9A
SCHEMBL6582795 0.82 F10 (0.57) HDAC3NCOR1HDAC1HDAC2NPC1

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