SCHEMBL27467155

SCHEMBL27467155

CCC(=O)OCCC1CCCC1c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 13/20 0.40
▸ TP53 P04637 11/20 0.40
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.37
▸ SLC9A1 P19634 1/20 0.37
▸ CHRM3 P20309 1/20 0.36

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
SCHEMBL27482758 0.88 MDM2 (0.41) MDM2TP53HTR2AHTR2CHTR2B
SCHEMBL27483135 0.85 HDAC8 (0.41) SLC6A3
SCHEMBL27706017 0.83 MAPT (0.39) CHRM3
SCHEMBL27468095 0.79 SLC6A4 (0.33) SLC6A3
SCHEMBL27482760 0.78 HPGD (0.33) SLC6A3
SCHEMBL27515302 0.78 HDAC8 (0.41) SLC6A3
SCHEMBL27466722 0.73 HDAC8 (0.48) —
SCHEMBL9781187 0.70 HTR2A (0.55) MDM2TP53HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL27655953 0.69 MEN1 (0.47) HTR2AHTR2CHTR2BSLC6A3
SCHEMBL29636325 0.68 CHRM2 (0.38) SLC6A3CHRM3

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
CN-1151140-C Glucokinase activators - 2004-05-26 — — CN disclosed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 — — CN disclosed
Send feedback