SCHEMBL6154516

SCHEMBL6154516

CC(=O)C[C@@H](Cc1ccccc1)C(=O)S

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CPA1 P15085 4/20 0.53
CPA3 P15088 3/20 0.53
FOLH1 Q04609 2/20 0.53
CPB1 P15086 1/20 0.53
CPB2 Q96IY4 1/20 0.53
MME P08473 2/20 0.50
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
LTA4H P09960 2/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45

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
SCHEMBL6155722 1.00 CYP1A2 (0.55) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL6155921 1.00 CYP1A2 (0.55) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7506745 0.85 CYP1A2 (0.59) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7322467 0.85 CPA1 (0.72) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7322470 0.85 CPA1 (0.72) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL6154524 0.82 CYP1A2 (0.55) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL6155724 0.82 CYP1A2 (0.55) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL6154517 0.82 CYP1A2 (0.55) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL16588647 0.82 CYP1A2 (0.55) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL11239068 0.81 TSHR (0.59) CYP1A2CPA1CPA3FOLH1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916654-B1 SULFONIC ESTER DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND USE THEREOF KANEKA CORP (JP) 2005-02-23 EP disclosed
US-6410773-B1 OPTICAL ACTIVE MATERIAL; ENKEPHALINASE INHIBITORS; HYPOTENSIVE AGENTS KANEKA CORPORATION (JP) 2002-06-25 US disclosed
US-6121477-A Sulfonic ester derivatives, process for preparing the same, and use thereof KANEKA CORPORATION (JP) 2000-09-19 US disclosed
EP-0916654-A1 SULFONIC ESTER DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND USE THEREOF KANEKA CORPORATION (JP) 1999-05-19 EP disclosed