SCHEMBL27467119

SCHEMBL27467119

CC(=O)OCn1ccc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MAPK1 P28482 4/20 0.55
CDK4 P11802 4/20 0.52
CCND1 P24385 4/20 0.52
LMNA P02545 1/20 0.51
NOTUM Q6P988 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL8163392 0.84 MAPK1 (0.60) KMT2AMAPK1CDK4CCND1LMNA
SCHEMBL3330677 0.83 KMT2A (0.51) KMT2AMAPK1CDK4CCND1LMNA
SCHEMBL7873205 0.81 CDK4 (0.60) KMT2AMAPK1CDK4CCND1LMNA
SCHEMBL27624745 0.81 KMT2A (0.57) KMT2AMAPK1CDK4CCND1LMNA
SCHEMBL9324414 0.78 LMNA (0.57) KMT2AMAPK1CDK4CCND1LMNA
SCHEMBL9701534 0.77 KMT2A (0.71) KMT2AMAPK1CDK4CCND1LMNA
SCHEMBL30074152 0.77 KMT2A (0.71) KMT2AMAPK1CDK4CCND1LMNA
SCHEMBL6469417 0.77 CDK4 (0.61) KMT2AMAPK1CDK4CCND1LMNA
SCHEMBL30057745 0.77 CDK4 (0.61) KMT2AMAPK1CDK4CCND1LMNA
SCHEMBL27342099 0.75 MTNR1A (0.59) CYP2C19MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104016989-A Method for synthesizing caulerpin UNIV SHANGHAI MARITIME 2014-09-03 CN claimed
CN-101085778-B Preparation method for etodolac SHANDONG XINHUA PHARMACEUTICAL 2010-05-19 CN claimed
CN-101085778-A Preparation method for etodolac SHANDONG XINHUA PHARMACEUTICAL (CN) 2007-12-12 CN claimed
CN-104016989-A Method for synthesizing caulerpin UNIV SHANGHAI MARITIME 2014-09-03 CN disclosed
CN-101077872-B Method for preparing etodolac methyl ester SHANDONG XINHUA PHARMACEUTICAL 2012-01-11 CN disclosed
CN-101085778-B Preparation method for etodolac SHANDONG XINHUA PHARMACEUTICAL 2010-05-19 CN disclosed
CN-100577167-C Pyridazino [4 SANOFI AVENTIS 2010-01-06 CN disclosed
CN-100497342-C Preparation process of 1,8-disubstituent-1,3,4,9-tetrahydropyran (3,4-b)-indolyl-1-acetate HANGZHOU KEBEN CHEMICAL CO LTD (CN) 2009-06-10 CN disclosed
CN-101085778-A Preparation method for etodolac SHANDONG XINHUA PHARMACEUTICAL (CN) 2007-12-12 CN disclosed
CN-101077872-A Method for preparing etodolac methyl ester SHANDONG XINHUA PHARMACEUTICAL (CN) 2007-11-28 CN disclosed
CN-1740174-A Prepn process of 1,8-disubstituent-1,3,4,9-tetrahydropyran (3,4-b)-indolyl-1-acetate HANGZHOU KEBEN CHEMICAL CO LTD (CN) 2006-03-01 CN disclosed
CN-1134440-C 4-oxo-3,5-dihydro-4H-pyridazino [4,5-b]-indole-1-acetamide derivatives, their prepn. and their application in therapy �����ʩ���عɷݹ�˾ 2004-01-14 CN disclosed
CN-1355804-A Process for preparing 1, 8-disubstituted-1, 3,4, 9-tetrahydropyrano (3, 4-b) -indole-1-acetic acid esters in a solvent containing hydroxyl groups RANBAXY LAB LTD (IN) 2002-06-26 CN disclosed
CN-1344161-A Use of pyridazino [4,5-i(b)]indole-1-acetamide derivatives for preparing medicines for treating disease related to dysfunction of peripheral benzodiazepin receptors SANOFI SYNTHELABO (FR) 2002-04-10 CN disclosed
CN-1265108-A 4-oxo-3,5-dihydro-4H-pyridazino [4,5-b]-indole-1-acetamide derivatives, their prepn. and their application in therapy SANOFI SYNTHELABO (FR) 2000-08-30 CN disclosed
CN-1230948-A Pyranoindole and carbazole COX-2 inhibitors AMERICAN HOME PROD (US) 1999-10-06 CN disclosed