SCHEMBL6421094

SCHEMBL6421094

CC(C)(C)OC(=O)N1CCc2c(n(CC(=O)O)c3ccccc23)C1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.59
CYP2C9 P11712 3/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
GLA P06280 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PTGER2 P43116 2/20 0.51
PTGDR Q13258 2/20 0.51
KRAS P01116 1/20 0.50
ENPP2 Q13822 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48

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
SCHEMBL6482626 0.92 PTGDR2 (0.64) PTGDR2CYP2C9HDAC1HDAC6KDM4E
SCHEMBL6421798 0.91 HDAC1 (0.55) PTGDR2CYP2C9HDAC1HDAC6KDM4E
SCHEMBL2086484 0.91 PTGDR2 (0.72) PTGDR2CYP2C9HDAC1HDAC6KDM4E
SCHEMBL6423329 0.90 HDAC1 (0.55) PTGDR2CYP2C9HDAC1HDAC6KRAS
SCHEMBL4185797 0.89 HDAC1 (0.56) PTGDR2CYP2C9HDAC1HDAC6HSD17B10
SCHEMBL6423858 0.89 HDAC1 (0.53) PTGDR2CYP2C9HDAC1HDAC6KRAS
SCHEMBL6424243 0.89 HDAC1 (0.55) PTGDR2HDAC1HDAC6KRASCHRM2
SCHEMBL6421345 0.88 HDAC1 (0.67) HDAC1HDAC6
SCHEMBL6421118 0.87 HDAC1 (0.55) PTGDR2HDAC1HDAC6KRASENPP2
SCHEMBL6420742 0.85 HDAC1 (0.54) HDAC1HDAC6KRASENPP2CHRM2

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-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed