SCHEMBL11287285

SCHEMBL11287285

CCCC=CC(Cl)CCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
CYP3A4 P08684 1/20 0.33
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DNM1 Q05193 2/20 0.32
SPHK2 Q9NRA0 4/20 0.32
SPHK1 Q9NYA1 4/20 0.32
MAPT P10636 3/20 0.32
CETP P11597 3/20 0.32
GMNN O75496 2/20 0.32
LMNA P02545 2/20 0.32
GLA P06280 2/20 0.32
POLB P06746 2/20 0.32
THRB P10828 2/20 0.32
MAPK1 P28482 2/20 0.32
CXCR5 P32302 2/20 0.32
CCR6 P51684 2/20 0.32

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
SCHEMBL11287259 1.00 MEN1 (0.33) MEN1KMT2ACYP3A4ACHEBACE1
SCHEMBL10902036 0.93 MEN1 (0.36) MEN1KMT2ACYP3A4SPHK2SPHK1
SCHEMBL10902034 0.93 MEN1 (0.36) MEN1KMT2ACYP3A4SPHK2SPHK1
SCHEMBL11286489 0.91 MEN1 (0.39) MEN1KMT2ACYP3A4SPHK2SPHK1
SCHEMBL11286494 0.91 MEN1 (0.39) MEN1KMT2ACYP3A4SPHK2SPHK1
SCHEMBL11284615 0.91 MEN1 (0.37) MEN1KMT2ACYP3A4TSHRSMN1; SMN2
SCHEMBL11284611 0.91 MEN1 (0.37) MEN1KMT2ACYP3A4TSHRSMN1; SMN2
SCHEMBL11272028 0.89 MEN1 (0.44) MEN1KMT2ACYP3A4TSHRSPHK2
SCHEMBL11272032 0.89 MEN1 (0.44) MEN1KMT2ACYP3A4TSHRSPHK2
SCHEMBL28666262 0.87 MEN1 (0.47) MEN1KMT2ACYP3A4SPHK2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0000555-B1 PROCESS FOR THE PREPARATION OF OXIRANES SUBSTITUTED BY HALOGEN ALKYL BAYER AG (DE) 1982-02-10 EP disclosed
EP-0000554-A1 Process for the preparation of oxiranes substituted by halogen alkyl BAYER AG (DE) 1979-02-07 EP disclosed
EP-0000555-A1 Process for the preparation of oxiranes substituted by halogen alkyl BAYER AG (DE) 1979-02-07 EP disclosed