SCHEMBL6570334

SCHEMBL6570334

O=C(N[C@@H](COP(=O)(O)O)c1ccccc1)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
RECQL P46063 1/20 0.46
CCR5 P51681 6/20 0.46
PIN1 Q13526 1/20 0.44
F11 P03951 1/20 0.43
POLB P06746 1/20 0.43
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RIPK1 Q13546 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL6568765 0.89 LMNA (0.48) LMNARECQLCCR5F11POLB
SCHEMBL6569865 0.81 SMN1; SMN2 (0.46) LMNAPIN1POLBSMN1; SMN2RIPK1
SCHEMBL1951857 0.81 EEF2K (0.46) LMNACCR5PIN1POLB
SCHEMBL1951858 0.81 EEF2K (0.46) LMNACCR5PIN1POLB
SCHEMBL1951861 0.81 EEF2K (0.46) LMNACCR5PIN1POLB
SCHEMBL6568402 0.80 PIN1 (0.62) LMNAPIN1SMN1; SMN2
SCHEMBL6568413 0.80 PIN1 (0.48) LMNAPIN1TDP1SMN1; SMN2RIPK1
SCHEMBL6568573 0.80 RIPK1 (0.55) LMNAPIN1POLBRIPK1
SCHEMBL9829153 0.77 ITGB3 (0.59) LMNARECQLCCR5F11KCNQ3
SCHEMBL6568557 0.76 PIN1 (0.44) LMNAPIN1POLBSMN1; SMN2RIPK1

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 claimed
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 claimed
EP-1156054-A1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP claimed