SCHEMBL6569855

SCHEMBL6569855

CCCCCCCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.50
MMP9 P14780 5/20 0.50
CNR1 P21554 4/20 0.50
CNR2 P34972 4/20 0.50
MMP1 P03956 4/20 0.50
MMP2 P08253 4/20 0.50
MMP8 P22894 4/20 0.50
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
NAMPT P43490 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL8349338 0.86 MMP9 (0.48) MMP9MMP1MMP2MMP8MEN1
SCHEMBL14224779 0.84 MMP9 (0.56) MMP9MMP1MMP2MMP8MEN1
SCHEMBL4859637 0.81 MMP9 (0.51) MMP9MMP1MMP2MMP8MEN1
SCHEMBL4861084 0.81 MMP9 (0.51) MMP9MMP1MMP2MMP8MEN1
SCHEMBL6570321 0.80 LPAR1 (0.42) ALDH1A1NAMPTCA12CA1CA2
SCHEMBL6568781 0.80 LPAR1 (0.42) ALDH1A1NAMPTCA12CA1CA2
SCHEMBL6568534 0.80 LPAR1 (0.42) ALDH1A1NAMPTCA12CA1CA2
SCHEMBL6568538 0.80 LPAR1 (0.42) ALDH1A1NAMPTCA12CA1CA2
SCHEMBL6571706 0.79 CA12 (0.41) ALDH1A1NAMPTCA12CA1CA2
SCHEMBL6569463 0.79 CA12 (0.41) ALDH1A1NAMPTCA12CA1CA2

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-1156054-B1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-04-14 EP disclosed
US-6495533-B1 TUMOR NECROSIS FACTOR INHIBITORS; RHEUMATOID ARTHRITIS, ULCERATIVE COLITIS, CROHN'S DISEASE, HEPATITIS, SEPSIS, HEMORRHAGIC SHOCK, MULTIPLE SCLEROSIS, CEREBRAL INFARCTION, DIABETES, INTERSTITIAL PNEUMONIA, PAIN, HIV ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-1156054-A1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP disclosed