SCHEMBL6568573

SCHEMBL6568573

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.55
PIN1 Q13526 4/20 0.45
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TACR3 P29371 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP26A1 O43174 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6568518 0.89 RIPK1 (0.51) RIPK1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL6568413 0.84 PIN1 (0.48) RIPK1PIN1TSHRTAS1R3TAS1R1
SCHEMBL6568526 0.84 CTSK (0.49) RIPK1PIN1TSHRMEN1KMT2A
SCHEMBL12666565 0.82 RIPK1 (0.52) RIPK1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL6569141 0.82 RIPK1 (0.54) RIPK1S1PR4S1PR1S1PR3S1PR5
SCHEMBL6569865 0.82 SMN1; SMN2 (0.46) RIPK1PIN1TSHRTAS1R3TAS1R1
SCHEMBL6568402 0.81 PIN1 (0.62) PIN1TAS1R3TAS1R1MEN1KMT2A
SCHEMBL12666572 0.80 RIPK1 (0.50) RIPK1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL12666589 0.80 RIPK1 (0.54) RIPK1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL6570204 0.80 LPAR1 (0.46) RIPK1PIN1MEN1KMT2AALDH1A1

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