SCHEMBL7745926

SCHEMBL7745926

CCOC(=O)c1cn(CC(=O)OC(C)(C)C)c2c(F)cccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 1/20 0.44
CHRM1 P11229 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.41
CLEC4M Q9H2X3 1/20 0.41
STAT3 P40763 2/20 0.39
MAOB P27338 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL7746533 0.86 TDP1 (0.56) TDP1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL23915480 0.83 LMNA (0.58) TDP1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7115198 0.80 TDP1 (0.55) TDP1KMT2ACHRM1KDM4ELMNA
SCHEMBL11198565 0.77 TDP1 (0.61) TDP1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL12479405 0.77 LMNA (0.68) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3238812 0.76 CHRM1 (0.57) TDP1CHRM1LMNA
SCHEMBL3238752 0.76 TDP1 (0.50) TDP1ALDH1A1KMT2ACHRM1KDM4E
SCHEMBL1481951 0.73 LMNA (0.48) TDP1ALDH1A1KMT2ACHRM1KDM4E
SCHEMBL7745648 0.73 TDP1 (0.45) TDP1ALDH1A1NPSR1KMT2AKDM4E
SCHEMBL335272 0.72 TDP1 (0.70) TDP1ALDH1A1CYP1A2KMT2AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed