SCHEMBL17328967

SCHEMBL17328967

CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(COC(=O)N4CCN(C)CC4)CC[C@@]3(C)CC[C@]12C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 7/20 0.66
NR4A1 P22736 6/20 0.66
CASP3 P42574 6/20 0.64
PTPN1 P18031 1/20 0.64
CASP1 P29466 1/20 0.64
ABHD6 Q9BV23 1/20 0.64
KDM4E B2RXH2 1/20 0.64
TP53 P04637 1/20 0.64
CYP3A4 P08684 1/20 0.64
MAPT P10636 1/20 0.64
HPGD P15428 1/20 0.64
ALOX15 P16050 1/20 0.64
ALOX12 P18054 1/20 0.64
MAPK1 P28482 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
HSP90AA1 P07900 1/20 0.63
CCR6 P51684 1/20 0.63
PAX8 Q06710 1/20 0.63
TLR9 Q9NR96 1/20 0.63

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
SCHEMBL17328940 1.00 TERT (0.66) TERTNR4A1CASP3PTPN1CASP1
SCHEMBL17328933 0.92 TERT (0.65) TERTNR4A1CASP3PTPN1CASP1
SCHEMBL17328931 0.92 TERT (0.65) TERTNR4A1CASP3PTPN1CASP1
SCHEMBL17328973 0.91 TERT (0.65) TERTNR4A1CASP3PTPN1CASP1
SCHEMBL17328919 0.91 TERT (0.65) TERTNR4A1CASP3PTPN1CASP1
SCHEMBL17328915 0.89 NR4A1 (0.72) TERTNR4A1CASP3PTPN1CASP1
SCHEMBL17328912 0.89 NR4A1 (0.72) TERTNR4A1CASP3PTPN1CASP1
SCHEMBL17328905 0.88 NR4A1 (0.66) TERTNR4A1CASP3PTPN1CASP1
SCHEMBL20173 0.87 TERT (0.64) TERTNR4A1CASP3PTPN1CASP1
SCHEMBL17328918 0.87 TERT (0.64) TERTNR4A1CASP3PTPN1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609108-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS SUZHOU NEUPHARMA CO LTD (CN) 2015-12-16 EP claimed