SCHEMBL6579939

SCHEMBL6579939

CCCCc1ccc(C(=O)Nc2cccc(C(=O)CO)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.67
PLK1 P53350 2/20 0.57
NR1H4 Q96RI1 3/20 0.55
KDM4E B2RXH2 2/20 0.54
MDH1 P40925 1/20 0.52
NPC1 O15118 1/20 0.50
GALR3 O60755 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL6577998 0.89 NR1H4 (0.65) TRPV1PLK1NR1H4RAB9AMEN1
SCHEMBL6577802 0.89 NR1H4 (0.62) TRPV1NR1H4RAB9AMEN1KMT2A
SCHEMBL7824191 0.87 TRPV1 (0.75) TRPV1PLK1NR1H4KDM4EMEN1
SCHEMBL6580260 0.87 TRPV1 (0.56) TRPV1NR1H4NPC1RAB9AMEN1
SCHEMBL6577705 0.84 NR1H4 (0.78) NR1H4KDM4ENPC1RAB9AMEN1
SCHEMBL6580248 0.81 NR1H4 (0.57) NR1H4NPC1RAB9AMEN1ALDH1A1
SCHEMBL6580464 0.81 NR1H4 (0.58) NR1H4NPC1RAB9AMEN1ALDH1A1
SCHEMBL6346822 0.81 KCNK3 (0.71) NPC1RAB9AMEN1KMT2A
SCHEMBL8108301 0.80 NR1H4 (0.78) NR1H4NPC1RAB9AMEN1KMT2A
SCHEMBL8119505 0.79 NR1H4 (0.83) NR1H4NPC1RAB9AMEN1KMT2A

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