SCHEMBL9685612

SCHEMBL9685612

C=CCC(CCCCCCCCCCCCCCC)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CETP P11597 3/20 0.40
CSNK1E P49674 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTRC Q99895 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL9685558 1.00 BCHE (0.42) BCHEACHECETPCSNK1EMEN1
SCHEMBL9684154 1.00 BCHE (0.42) BCHEACHECETPCSNK1EMEN1
SCHEMBL16177752 0.94 BCHE (0.39) BCHEACHECETPCNR2ALDH1A1
SCHEMBL9685360 0.87 MAPT (0.39) BCHE
SCHEMBL9030758 0.86 CETP (0.43) CETPCSNK1ECTRCCNR2
SCHEMBL9030769 0.86 CETP (0.43) CETPCSNK1ECTRCCNR2
SCHEMBL16667474 0.86 CETP (0.43) CETPCSNK1ECTRCCNR2
SCHEMBL9577155 0.85 SMN1; SMN2 (0.41) BCHEMEN1KMT2A
SCHEMBL9497399 0.85 SMN1; SMN2 (0.41) BCHEMEN1KMT2A
SCHEMBL17006171 0.84 LTA4H (0.38) BCHEMEN1KMT2AALDH1A1

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
US-5145844-A Enzyme inhibitors, antiinflammatory agents, analgesics HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-09-08 US disclosed
US-5030733-A Analgesics, antiinflammatory agents, phospholipase inhibitor HOECHST-ROUSSEL PHARMACETICALS INCORPORATED (US) 1991-07-09 US disclosed
EP-0300397-A2 Hydroxy-, Alkoxy- and Benzyloxy substituted phospholipids, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-01-25 EP disclosed