SCHEMBL6157430

SCHEMBL6157430

CCOC(=O)C(Cc1ccc2c(c1)OCO2)C(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.58
HSD17B10 Q99714 2/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
KMT2A Q03164 1/20 0.54
TAAR1 Q96RJ0 3/20 0.54
CYP2D6 P10635 3/20 0.54
SLC6A4 P31645 3/20 0.54
SLC6A2 P23975 2/20 0.54
SLC6A3 Q01959 2/20 0.54
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL7574108 0.94 CYP3A4 (0.56) CYP3A4HSD17B10MEN1USP2ALDH1A1
SCHEMBL7699367 0.93 CYP3A4 (0.58) CYP3A4HSD17B10MEN1USP2ALDH1A1
SCHEMBL9514948 0.88 MAPT (0.47) CYP3A4HSD17B10MEN1USP2ALDH1A1
SCHEMBL3572819 0.88 KMT2A (0.49) CYP3A4HSD17B10MEN1USP2ALDH1A1
SCHEMBL11732644 0.86 CYP3A4 (0.56) CYP3A4HSD17B10MEN1USP2ALDH1A1
SCHEMBL8248139 0.86 CYP3A4 (0.59) CYP3A4HSD17B10MEN1USP2ALDH1A1
SCHEMBL9263319 0.86 CYP3A4 (0.59) CYP3A4HSD17B10MEN1USP2ALDH1A1
SCHEMBL9585882 0.85 CYP3A4 (0.48) CYP3A4HSD17B10MEN1USP2ALDH1A1
SCHEMBL3174279 0.85 CYP3A4 (0.57) CYP3A4HSD17B10MEN1USP2ALDH1A1
Hydrochloric Acid SCHEMBL8497507 0.85 CYP3A4 (0.58) CYP3A4HSD17B10MEN1USP2ALDH1A1

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 6 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
US-5945548-A Process for the synthesis of α-substituted acrylic acids and their application SOCIETE CIVILE BIOPROJECT (FR) 1999-08-31 US disclosed
EP-0916654-A1 SULFONIC ESTER DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND USE THEREOF KANEKA CORPORATION (JP) 1999-05-19 EP disclosed
US-5786494-A Process for the synthesis of α-substituted acrylic acids and their application SOCIETE CIVILE BIOPROJET (FR) 1998-07-28 US disclosed