SCHEMBL4641728

SCHEMBL4641728

O=C(CCCCO)Oc1cc(O)cc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.46
CNR1 P21554 8/20 0.45
CNR2 P34972 8/20 0.45
KMT2A Q03164 2/20 0.43
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSP90AB1 P08238 1/20 0.35
ALB P02768 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL4645233 0.94 VCAM1 (0.44) VCAM1CNR1CNR2KMT2APRSS1
SCHEMBL8654408 0.92 KMT2A (0.48) VCAM1CNR1CNR2KMT2APRSS1
SCHEMBL8651624 0.90 KMT2A (0.47) VCAM1CNR1CNR2KMT2APRSS1
SCHEMBL8655657 0.90 KMT2A (0.47) VCAM1CNR1CNR2KMT2APRSS1
SCHEMBL8653229 0.90 KMT2A (0.47) VCAM1CNR1CNR2KMT2APRSS1
SCHEMBL8653636 0.90 KMT2A (0.47) VCAM1CNR1CNR2KMT2APRSS1
SCHEMBL8652802 0.90 KMT2A (0.47) VCAM1CNR1CNR2KMT2APRSS1
SCHEMBL8653228 0.90 KMT2A (0.47) VCAM1CNR1CNR2KMT2APRSS1
SCHEMBL8650698 0.90 KMT2A (0.47) VCAM1CNR1CNR2KMT2APRSS1
SCHEMBL8653974 0.90 KMT2A (0.47) VCAM1CNR1CNR2KMT2APRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100519671-C Film-forming polymer and antifouling paint JOTUN AS (NO) 2009-07-29 CN disclosed
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
CN-1643085-A Film-forming polymer and antifouling paint JOTUN AS (NO) 2005-07-20 CN disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed