SCHEMBL6569865

SCHEMBL6569865

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
PIN1 Q13526 2/20 0.46
RIPK1 Q13546 1/20 0.46
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC6A9 P48067 1/20 0.42
HTT P42858 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
LPAR1 Q92633 2/20 0.40
LPAR3 Q9UBY5 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
SCHEMBL6570204 0.89 LPAR1 (0.46) SMN1; SMN2PIN1RIPK1ALDH1A1LMNA
SCHEMBL6571741 0.89 SMN1; SMN2 (0.46) SMN1; SMN2RIPK1ALDH1A1LMNAPOLB
SCHEMBL6568481 0.87 LPAR3 (0.52) ALDH1A1LPAR1LPAR3
SCHEMBL6568701 0.85 LPAR3 (0.56) ALDH1A1LPAR1LPAR3
SCHEMBL6568413 0.85 PIN1 (0.48) SMN1; SMN2PIN1RIPK1ALDH1A1LMNA
SCHEMBL6570354 0.84 LPAR3 (0.58) ALDH1A1LPAR1LPAR3
SCHEMBL6569341 0.84 LPAR3 (0.58) ALDH1A1LPAR1LPAR3
SCHEMBL6568705 0.84 LPAR3 (0.58) ALDH1A1LPAR1LPAR3
SCHEMBL6570288 0.84 LPAR3 (0.58) ALDH1A1LPAR1LPAR3
SCHEMBL7618294 0.84 LPAR3 (0.58) ALDH1A1LPAR1LPAR3

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