SCHEMBL6581728

SCHEMBL6581728

CC(=O)c1cc(NC(=O)c2ccc(CCCCc3ccccc3)cc2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.57
TRPV1 Q8NER1 1/20 0.56
SIRT6 Q8N6T7 1/20 0.54
CCR5 P51681 1/20 0.53
NR1H4 Q96RI1 1/20 0.52
HDAC1 Q13547 3/20 0.51
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
PLK1 P53350 4/20 0.49
PLK3 Q9H4B4 3/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 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
SCHEMBL6577799 0.97 ALOX15 (0.57) ALOX15TRPV1SIRT6CCR5NR1H4
SCHEMBL6581838 0.90 NR1H4 (0.68) NR1H4KMT2ANPC1RAB9A
SCHEMBL6580317 0.89 NR1H4 (0.67) NR1H4KMT2APLK1NPC1RAB9A
SCHEMBL6580185 0.89 TRPV1 (0.61) ALOX15TRPV1CCR5POLBPLK1
SCHEMBL6346820 0.85 KMT2A (0.65) ALOX15SIRT6NR1H4KMT2APOLB
SCHEMBL6579889 0.84 HDAC1 (0.62) ALOX15TRPV1HDAC1POLBHDAC8
SCHEMBL6581908 0.83 NPC1 (0.56) ALOX15TRPV1SIRT6CCR5KMT2A
SCHEMBL6580244 0.78 NPC1 (0.64) ALOX15CCR5KMT2APOLBNPC1
SCHEMBL6580500 0.78 EPHX2 (0.57) KMT2APOLBNPC1RAB9A
SCHEMBL6577993 0.78 PLK1 (0.61) TRPV1HDAC1PLK1PLK3HDAC8

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