SCHEMBL6579983

SCHEMBL6579983

CCCCCCCCC(=O)Nc1cccc(C(C)=O)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.57
SOAT1 P35610 2/20 0.56
EP300 Q09472 1/20 0.54
HDAC3 O15379 3/20 0.50
HDAC1 Q13547 3/20 0.50
RXFP1 Q9HBX9 1/20 0.47
TSHR P16473 2/20 0.47
P2RX7 Q99572 1/20 0.47
HDAC2 Q92769 2/20 0.47
NCOR2 Q9Y618 1/20 0.47
MAPK1 P28482 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL6580152 1.00 CETP (0.57) CETPSOAT1EP300HDAC3HDAC1
SCHEMBL24074514 0.87 CETP (0.65) CETPSOAT1EP300HDAC3HDAC1
SCHEMBL27548637 0.87 CETP (0.65) CETPSOAT1EP300HDAC3HDAC1
SCHEMBL6580165 0.84 KDM4E (0.53) HDAC3HDAC1TSHRHDAC2HDAC4
SCHEMBL15894577 0.84 EP300 (0.62) CETPSOAT1EP300HDAC3HDAC1
SCHEMBL19004115 0.83 CETP (0.59) CETPSOAT1EP300HDAC3HDAC1
SCHEMBL3378244 0.82 ALDH1A1 (0.51) MAPK1LMNAKMT2ANPSR1
SCHEMBL30102565 0.82 CETP (0.54) CETPSOAT1EP300RXFP1TSHR
SCHEMBL24420606 0.81 CETP (0.63) CETPSOAT1RXFP1TSHRMAPK1
SCHEMBL9395051 0.80 CETP (0.77) CETPSOAT1EP300HDAC3HDAC1

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