SCHEMBL6580260

SCHEMBL6580260

CCc1ccc(C(=O)Nc2cccc(C(=O)CO)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.56
KCNK3 O14649 2/20 0.54
KCNK9 Q9NPC2 2/20 0.54
RAB9A P51151 6/20 0.54
NPC1 O15118 6/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 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
SCHEMBL6579939 0.87 TRPV1 (0.67) TRPV1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL13779847 0.87 TRPV1 (0.66) TRPV1KCNK3KCNK9RAB9ANPC1
SCHEMBL6580248 0.86 NR1H4 (0.57) KCNK3KCNK9RAB9ANPC1MAPT
SCHEMBL14182156 0.85 KCNK9 (0.52) TRPV1KCNK3KCNK9RAB9ANPC1
SCHEMBL6580464 0.85 NR1H4 (0.58) KCNK3KCNK9RAB9ANPC1MAPT
SCHEMBL6346822 0.85 KCNK3 (0.71) KCNK3KCNK9RAB9ANPC1MAPT
SCHEMBL6579969 0.83 KMT2A (0.58) KCNK3KCNK9RAB9ANPC1MAPT
SCHEMBL6577998 0.83 NR1H4 (0.65) TRPV1KCNK3KCNK9RAB9AMAPT
SCHEMBL6577802 0.83 NR1H4 (0.62) TRPV1KCNK3KCNK9RAB9ALMNA
SCHEMBL6579950 0.83 NPC1 (0.73) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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