SCHEMBL6581663

SCHEMBL6581663

CC(=O)c1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
ALDH1A1 P00352 4/20 0.58
LMNA P02545 3/20 0.58
TP53 P04637 3/20 0.58
KDM4E B2RXH2 3/20 0.58
HSD17B10 Q99714 2/20 0.58
MCL1 Q07820 1/20 0.58
MAPK1 P28482 1/20 0.57
KMT2A Q03164 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MEN1 O00255 3/20 0.55
HTT P42858 2/20 0.55
PNLIP P16233 1/20 0.55
ALOX15 P16050 2/20 0.53
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
MAPK14 Q16539 1/20 0.52
SMO Q99835 1/20 0.52
TRPV1 Q8NER1 1/20 0.51

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
SCHEMBL6580095 0.86 NPC1 (0.67) ALDH1A1TP53KDM4EKMT2ANPC1
SCHEMBL6580139 0.83 NPC1 (0.63) MAPTALDH1A1LMNATP53KDM4E
SCHEMBL6582707 0.83 TRPV1 (0.52) MAPTALDH1A1LMNATP53KDM4E
SCHEMBL6580244 0.81 NPC1 (0.64) MAPTALDH1A1LMNATP53KDM4E
SCHEMBL7646688 0.81 ALDH1A1 (0.59) MAPTALDH1A1MAPK1KMT2AHTT
SCHEMBL6579798 0.81 NR1H4 (0.61) MAPTALDH1A1LMNATP53KDM4E
SCHEMBL6582685 0.81 MAPT (0.63) MAPTALDH1A1LMNATP53KDM4E
SCHEMBL6346820 0.80 KMT2A (0.65) MAPTKDM4EMAPK1KMT2ANPC1
SCHEMBL6581908 0.78 NPC1 (0.56) MAPTALDH1A1HSD17B10KMT2ANPC1
SCHEMBL6580199 0.78 NR1H4 (0.54) MAPTTP53KMT2ANPC1RAB9A

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