SCHEMBL6580158

SCHEMBL6580158

CC(C)(C)Oc1ccc(C(=O)Nc2cccc(C(=O)CO)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
LMNA P02545 2/20 0.54
KCNK9 Q9NPC2 2/20 0.53
PKM P14618 2/20 0.53
HTT P42858 2/20 0.53
POLB P06746 1/20 0.53
RECQL P46063 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
TRPV1 Q8NER1 1/20 0.53
NR1H4 Q96RI1 6/20 0.52
TP53 P04637 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 1/20 0.50
KCNK3 O14649 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49

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
SCHEMBL6580034 0.86 KCNK9 (0.72) KMT2AKCNK9PKMNPC1RAB9A
SCHEMBL6579950 0.84 NPC1 (0.73) KMT2ALMNANPC1RAB9ANR1H4
SCHEMBL6580184 0.84 NR1H4 (0.58) KMT2ALMNAKCNK9PKMHTT
SCHEMBL6577705 0.81 NR1H4 (0.78) KMT2ALMNANPC1RAB9ANR1H4
SCHEMBL6580077 0.81 NR1H4 (0.70) KMT2ANPC1RAB9ANR1H4TP53
SCHEMBL6580248 0.81 NR1H4 (0.57) KMT2AKCNK9POLBNPC1RAB9A
SCHEMBL6346822 0.81 KCNK3 (0.71) KMT2AKCNK9HTTPOLBNPC1
SCHEMBL6582800 0.81 KCNK9 (0.64) KMT2AKCNK9PKMNPC1RAB9A
SCHEMBL10294132 0.80 MEN1 (0.60) KMT2AKCNK9HTTNPC1RAB9A
SCHEMBL6580260 0.79 TRPV1 (0.56) KMT2ALMNAKCNK9HTTPOLB

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