SCHEMBL27630360

SCHEMBL27630360

CC(=O)OCC(=O)OCCCC(C)n1cnc2c(Cl)cc(N)nc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 2/20 0.33
▸ CDK5R1 Q15078 2/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ RXFP1 Q9HBX9 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
SCHEMBL27630417 0.77 KDM4E (0.33) CDK5CDK5R1PDE2AALDH1A1KDM4E
SCHEMBL6705449 0.73 KDM4E (0.33) PDE2AALDH1A1KDM4EHPGDADRA1A
SCHEMBL6151952 0.69 KDM4E (0.59) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL27725381 0.63 HSP90AA1 (0.39) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL15432438 0.63 ALDH1A1 (0.42) ALDH1A1TDP1HSD17B10
SCHEMBL9584563 0.62 HDAC6 (0.41) —
SCHEMBL23471177 0.59 ALDH1A1 (0.38) ALDH1A1TDP1HSD17B10
SCHEMBL9583170 0.59 CDK1 (0.47) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL10996278 0.58 HSD17B10 (0.54) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL6365879 0.58 HSP90AB1 (0.43) —

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-1812990-A Process for the preparation of famciclovir TEVA PHARMA (IL) 2006-08-02 — — CN disclosed
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