SCHEMBL6580165

SCHEMBL6580165

CC(=O)c1cccc(NC(=O)CCCCCCCCc2ccccc2)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC1 Q13547 4/20 0.52
HDAC2 Q92769 2/20 0.52
ALOX5 P09917 1/20 0.52
HCAR2 Q8TDS4 1/20 0.51
HDAC3 O15379 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM6B O15054 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
KDM4C Q9H3R0 1/20 0.47

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
SCHEMBL6582660 0.90 KDM4E (0.63) KDM4EALDH1A1LMNASMN1; SMN2HCAR2
SCHEMBL6580152 0.84 CETP (0.57) LMNAHDAC1HDAC2HDAC3KMT2A
SCHEMBL6579983 0.84 CETP (0.57) LMNAHDAC1HDAC2HDAC3KMT2A
SCHEMBL6577993 0.82 PLK1 (0.61) HDAC1HDAC2HDAC3TRPV1HDAC4
SCHEMBL6582831 0.81 ALDH1A1 (0.78) KDM4EALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL6581823 0.80 PLK1 (0.58) KDM4EALDH1A1LMNASMN1; SMN2HDAC1
SCHEMBL6577550 0.78 NR1H4 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL27413852 0.78 HCAR2 (0.60) KDM4ESMN1; SMN2HDAC1HDAC2ALOX5
SCHEMBL6579889 0.77 HDAC1 (0.62) ALDH1A1LMNASMN1; SMN2HDAC1HDAC2
SCHEMBL3415084 0.76 NR1H4 (0.62) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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