SCHEMBL6580357

SCHEMBL6580357

CC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
RAB9A P51151 4/20 0.55
MAPT P10636 4/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 3/20 0.53
HTT P42858 3/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 2/20 0.52
HPGD P15428 1/20 0.52
PARP1 P09874 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SLC16A3 O15427 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NR1H4 Q96RI1 1/20 0.48

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
SCHEMBL6580460 0.92 NPC1 (0.48) NPC1RAB9AMAPTALDH1A1GAA
SCHEMBL3381862 0.88 POLB (0.56) NPC1RAB9AMAPTALDH1A1GAA
SCHEMBL3377996 0.87 NPC1 (0.59) NPC1RAB9AMAPTALDH1A1GAA
SCHEMBL29050680 0.86 RAB9A (0.64) NPC1RAB9AMAPTALDH1A1GAA
SCHEMBL6580473 0.86 NR1H4 (0.60) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL13539355 0.85 KMT2A (0.68) NPC1RAB9AALDH1A1GAAKDM4E
SCHEMBL6580027 0.84 F10 (0.66) NPC1RAB9AMAPTALDH1A1GAA
SCHEMBL6580254 0.84 NR1H4 (0.53) NPC1RAB9AMAPTALDH1A1GAA
SCHEMBL3414932 0.82 NPC1 (0.63) NPC1RAB9AMAPTALDH1A1GAA
SCHEMBL6580181 0.82 MAPT (0.58) NPC1RAB9AMAPTALDH1A1GAA

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