SCHEMBL6579797

SCHEMBL6579797

COCn1nnnc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
HCAR3 P49019 1/20 0.33
NPC1 O15118 1/20 0.33
HSD11B1 P28845 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL6580324 0.82 MAPK1 (0.42) MAPK1ALDH1A1ERCC5FEN1HCAR3
SCHEMBL18675286 0.81 MAPK1 (0.35) MAPK1ALDH1A1SMN1; SMN2ERCC5FEN1
SCHEMBL6948864 0.79 NPC1 (0.48) MAPK1ALDH1A1SMN1; SMN2HCAR3NPC1
SCHEMBL8925425 0.76 GHSR (0.41) MAPK1ERCC5FEN1HSD11B1HSD17B10
SCHEMBL28712647 0.76 HSD17B10 (0.43) MAPK1ALDH1A1SMN1; SMN2HCAR3NPC1
SCHEMBL4142949 0.75 ALDH1A1 (0.47) MAPK1ALDH1A1NPC1HSD11B1KDM4C
SCHEMBL20128067 0.73 MAPK1 (0.33) MAPK1ALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL6582001 0.72 ERCC5 (0.65) ALDH1A1ERCC5FEN1HSD11B1USP2
SCHEMBL8921457 0.70 MAPK1 (0.53) MAPK1ALDH1A1NPC1HSD11B1HSD17B10
Trifluoroacetic Acid SCHEMBL9386542 0.70 NPC1 (0.45) MAPK1ALDH1A1SMN1; SMN2HCAR3NPC1

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