SCHEMBL30705808

SCHEMBL30705808

COc1c(F)ccc2ccn(C(=O)OCCl)c12

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.32
ACLY P53396 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
CHRNA7 P36544 1/20 0.31
HTR3A P46098 1/20 0.31
PARP1 P09874 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL30705789 0.86 MEP1B (0.32) MEP1BACLYTUBB1CHRNA7HTR3A
SCHEMBL30186608 0.80 TUBB1 (0.35) MEP1BACLYTUBB1CHRNA7HTR3A
SCHEMBL30705764 0.79 FABP4 (0.36) ACLYPARP1KDM4EALDH1A1
SCHEMBL30705793 0.69 ABCB1 (0.38) ACLYTUBB1
SCHEMBL24020799 0.66 ACLY (0.47) ACLY
SCHEMBL30310356 0.66 ACLY (0.47) ACLY
SCHEMBL30705792 0.65 FABP4 (0.36) ACLYPARP1KDM4EALDH1A1
SCHEMBL30310460 0.64 ACLY (0.48) ACLY
SCHEMBL24112566 0.64 ACLY (0.48) ACLY
SCHEMBL25335851 0.63 BUB1 (0.40) ACLYTUBB1PARP1ALDH1A1

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
CN-111954525-B Prodrugs of fused bicyclic C5aR antagonists 凯莫森特里克斯股份有限公司 2023-12-26 CN disclosed