P-Cymene

P-Cymene

SCHEMBL7514746

Cc1ccc(C(C)C)cc1.Cc1ccccc1S(=O)(=O)N[C@H](c1ccccc1)[C@H](N)c1ccccc1.[Ru]

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ITGAV P06756 2/20 0.37
KEAP1 Q14145 3/20 0.37
NFE2L2 Q16236 3/20 0.37
CNR2 P34972 2/20 0.37
CASP1 P29466 1/20 0.36
ITGA2 P17301 1/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
GFER P55789 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35

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
P-Cymene SCHEMBL7517557 1.00 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1L3MBTL1ATM
SCHEMBL3232763 0.89 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1L3MBTL1ATM
SCHEMBL7526406 0.89 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1L3MBTL1ATM
SCHEMBL7646219 0.89 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1L3MBTL1ATM
SCHEMBL7613315 0.87 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1L3MBTL1ATM
P-Cymene SCHEMBL3579869 0.86 ALDH1A1 (0.50) SLC1A3SLC1A2SLC1A1ALDH1A1NPSR1
P-Cymene SCHEMBL6743208 0.86 NPSR1 (0.47) SLC1A3SLC1A2SLC1A1ALDH1A1NPSR1
P-Cymene SCHEMBL7527837 0.86 NPSR1 (0.47) SLC1A3SLC1A2SLC1A1ALDH1A1NPSR1
P-Cymene SCHEMBL2240125 0.86 ALDH1A1 (0.50) SLC1A3SLC1A2SLC1A1ALDH1A1NPSR1
P-Cymene SCHEMBL3854468 0.86 KEAP1 (0.40) L3MBTL1ATMALDH1A1NPSR1KEAP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495701-B1 THE PRESENT INVENTION IS DIRECTED TO PROCESSES FOR THE PREPARATION OF A COMPOUND USEFUL FOR TREATING DIABETES, OBESITY, HYPERLIPIDEMIA AND THE LIKE, ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-12-17 US disclosed
EP-1174426-A1 METHOD FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES THROUGH AZIDES Asahi Kasei Kabushiki Kaisha (JP) 2002-01-23 EP disclosed