SCHEMBL6568413

SCHEMBL6568413

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.48
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 4/20 0.45
RIPK1 Q13546 1/20 0.44
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL6571633 0.88 LMNA (0.45) LMNASMN1; SMN2KMT2ARIPK1MTNR1A
SCHEMBL6569865 0.85 SMN1; SMN2 (0.46) PIN1LMNASMN1; SMN2RIPK1ALDH1A1
SCHEMBL6568402 0.85 PIN1 (0.62) PIN1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL6568573 0.84 RIPK1 (0.55) PIN1LMNAKMT2ARIPK1ALDH1A1
SCHEMBL6568614 0.84 MTNR1A (0.52) MTNR1AMTNR1BALDH1A1L3MBTL1
SCHEMBL6568557 0.83 PIN1 (0.44) PIN1LMNASMN1; SMN2KMT2ARIPK1
SCHEMBL6570204 0.83 LPAR1 (0.46) PIN1LMNASMN1; SMN2KMT2ARIPK1
SCHEMBL6568526 0.82 CTSK (0.49) PIN1LMNASMN1; SMN2KMT2ARIPK1
SCHEMBL6568481 0.81 LPAR3 (0.52) ALDH1A1
SCHEMBL6571650 0.81 HDAC3 (0.45) PIN1RIPK1

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