SCHEMBL5501097

SCHEMBL5501097

O=C(OCc1ccccc1)c1cc[nH]c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
TDP1 Q9NUW8 4/20 0.66
SLC6A2 P23975 1/20 0.66
SLC6A3 Q01959 1/20 0.66
LMNA P02545 3/20 0.60
ALDH1A1 P00352 8/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 5/20 0.51
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
MMP12 P39900 2/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MMP1 P03956 1/20 0.49
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 2/20 0.46

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
Benzyl Benzoate SCHEMBL901058 0.80 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL312287 0.80 KMT2A (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL8010992 0.80 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL3038 0.80 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL9788724 0.79 ALDH1A1 (0.68) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6282770 0.78 KMT2A (0.81) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL29007153 0.78 KMT2A (0.96) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL29101943 0.78 KMT2A (0.96) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL28370886 0.78 KMT2A (0.96) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL29144647 0.78 KMT2A (0.96) KMT2ATDP1SLC6A2SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116234802-A Quinoline CGAS antagonist compounds 免疫传感器治疗股份有限公司 2023-06-06 CN disclosed
WO-2023040771-A1 NITROGEN-CONTAINING FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 华润医药控股有限公司 2023-03-23 WO disclosed
EP-3048106-B1 THIENOPYRIMIDINE AS INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2019-11-06 EP disclosed
CN-102224155-A Protease inhibitors MEDIVIR AB 2011-10-19 CN disclosed
EP-1756053-A1 PROCESS FOR THE PREPARATION OF ATORVASTATIN Ranbaxy Laboratories Limited (IN) 2007-02-28 EP disclosed
CN-1900080-A Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LTD (GB) 2007-01-24 CN disclosed
WO-2006110918-A1 PYRROLE COMPOUNDS AND USES THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2006-10-19 WO disclosed
CN-1269822-C Inhibitors of kruenza protease and other cysteine proteases AMURA THERAPEUTICS LTD (GB) 2006-08-16 CN disclosed
WO-2005118536-A1 PROCESS FOR THE PREPARATION OF ATORVASTATIN RANBAXY LABORATORIES LIMITED (IN) 2005-12-15 WO disclosed
CN-1486320-A Inhibitors of kruenza protease and other cysteine proteases ��ķ��ҽ�����޹�˾ 2004-03-31 CN disclosed
US-4511575-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4511576-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4351843-A LOWERING BLOOD GLUCOSE PFIZER INC. (US) 1982-09-28 US disclosed
US-4282242-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1981-08-04 US disclosed