SCHEMBL28039796

SCHEMBL28039796

C1C2CC3C4CC5CC(C14)C(C2)C3C5.CC=C(C#N)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
EGFR P00533 2/20 0.35
CISD1 Q9NZ45 1/20 0.35
SLC16A3 O15427 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
SLC16A1 P53985 1/20 0.35
GPR35 Q9HC97 1/20 0.35
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL13891834 0.82
SCHEMBL26755 0.82
SCHEMBL1959929 0.82
Acetonitrile SCHEMBL27978825 0.77 EGFR (0.42) KDM4EEGFRCISD1SLC16A3ALDH1A1
SCHEMBL11571460 0.74 EGFR (0.37) KDM4EEGFRCISD1SLC16A3ALDH1A1
SCHEMBL28059719 0.71 CYP2C9 (0.32)
Oxalic Acid SCHEMBL28766802 0.71 HSD11B1 (0.36) POLBLMNAKMT2A
SCHEMBL4287679 0.70 ALDH1A1 (0.38) KDM4EEGFRCISD1SLC16A3ALDH1A1
Acetic Acid SCHEMBL14244268 0.69 FFAR3 (0.47) POLBLMNAKMT2A
SCHEMBL4181529 0.68 CISD1 (0.36) KDM4EEGFRCISD1SLC16A3ALDH1A1

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-105189679-A Hot melt adhesive comprising cyanoacrylate curing compounds HENKEL AG & CO KGAA 2015-12-23 CN disclosed