SCHEMBL6579798

SCHEMBL6579798

CCCCOc1ccc(C(=O)Nc2ccc(O)c(C(C)=O)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.61
MAPT P10636 9/20 0.61
RAB9A P51151 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 2/20 0.61
LMNA P02545 1/20 0.60
STAT3 P40763 1/20 0.60
THRB P10828 1/20 0.55
NPC1 O15118 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HIF1A Q16665 1/20 0.55
TSHR P16473 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MCL1 Q07820 1/20 0.54
HPGD P15428 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
TP53 P04637 3/20 0.53
RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL6582685 0.95 MAPT (0.63) NR1H4MAPTRAB9AMEN1KMT2A
SCHEMBL6580139 0.90 NPC1 (0.63) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6581838 0.85 NR1H4 (0.68) NR1H4MAPTRAB9AMEN1KMT2A
SCHEMBL6580317 0.84 NR1H4 (0.67) NR1H4MAPTRAB9AMEN1KMT2A
SCHEMBL22192246 0.84 SMN1; SMN2 (0.81) NR1H4MAPTRAB9AMEN1KMT2A
SCHEMBL6580185 0.84 TRPV1 (0.61) MAPTRAB9AKDM4ENPC1
SCHEMBL8387519 0.83 NR1H4 (0.64) NR1H4MAPTRAB9AMEN1KMT2A
SCHEMBL6580095 0.83 NPC1 (0.67) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL10876762 0.81 SMN1; SMN2 (0.72) NR1H4MAPTRAB9AMEN1KMT2A
SCHEMBL6580199 0.81 NR1H4 (0.54) NR1H4MAPTRAB9AMEN1KMT2A

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