SCHEMBL6581738

SCHEMBL6581738

CCCCOCn1nnnc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.38
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.35
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
RARA P10276 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL9111798 0.80 HCAR3 (0.46) HTTCYP2C19
SCHEMBL28712647 0.79 HSD17B10 (0.43) MAPK1CYP2C19
SCHEMBL6948864 0.75 NPC1 (0.48) MAPK1CYP2C19
SCHEMBL8925425 0.69 GHSR (0.41) MAPK1ERCC5FEN1
SCHEMBL22975616 0.69 MAPK1 (0.41) MAPK1
SCHEMBL8923655 0.68 FLT1 (0.35) MAPK1ERCC5FEN1
SCHEMBL4142949 0.68 ALDH1A1 (0.47) MAPK1
SCHEMBL6582834 0.62 MAPK1 (0.44) MAPK1CYP2C19
Acetic Acid SCHEMBL9616198 0.61 TSHR (0.59) RARBHTT
Acetic Acid SCHEMBL28723481 0.61 TSHR (0.59) RARBHTT

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