SCHEMBL793900

SCHEMBL793900

O=C(O)CC(CC(=O)O)(OC(=O)c1ccccc1C(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
AKR1C3 P42330 1/20 0.39
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HMGB1 P09429 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA9 Q16790 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL793901 0.95 CYP2C19 (0.44) ALDH1A1ALOX15CYP2C19HIF1ATSHR
SCHEMBL2712904 0.85 TDP1 (0.53) ALDH1A1ALOX15CYP2C19HIF1ATSHR
SCHEMBL27625176 0.84 TDP1 (0.51) ALDH1A1ALOX15CYP2C19HIF1ATSHR
SCHEMBL3485285 0.84 TDP1 (0.51) ALDH1A1ALOX15CYP2C19HIF1ATSHR
SCHEMBL6663875 0.84 L3MBTL1 (0.44) CYP2C19HIF1ATSHRKDM4EHPGD
SCHEMBL8606199 0.83 ALDH1A1 (0.32) ALDH1A1ALOX15CYP2C19HIF1AHSD17B10
SCHEMBL6664530 0.81 NPC1 (0.47) ALDH1A1HPGDSMN1; SMN2KMT2AMAPT
SCHEMBL27993391 0.81 ALDH1A1 (0.35) ALDH1A1CYP2C19HIF1ATSHRKDM4E
SCHEMBL2071064 0.81 TDP1 (0.47) ALDH1A1ALOX15CYP2C19HIF1ATSHR
SCHEMBL1289443 0.79 TDP1 (0.46) ALDH1A1CYP2C19HIF1ATSHRCYP1A2

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113976059-B Preparation process and equipment of cellulose citrate phthalate 七星柠檬科技有限公司 2024-01-05 CN claimed
CN-113976059-A Preparation process and equipment of cellulose citrate phthalate 黄小燕 2022-01-28 CN claimed
WO-2014029953-A1 HOT MELT EXTRUDED (HME) PHARMACEUTICAL COMPOSITION OF CINACALCET CIPLA LIMITED (IN) 2014-02-27 WO claimed
US-20100173921-A1 Antiretroviral Solid Oral Composition CIPLA LIMITED (IN) 2010-07-08 US claimed
WO-2008017867-A2 ANTIRETROVIRAL SOLID ORAL COMPOSITION WITH AT LEAST ONE WATER INSOLUBLE POLYMER CIPLA LIMITED (IN) 2008-02-14 WO claimed
CN-113976059-B Preparation process and equipment of cellulose citrate phthalate 七星柠檬科技有限公司 2024-01-05 CN disclosed
CN-113976059-B Preparation process and equipment of cellulose citrate phthalate 七星柠檬科技有限公司 2024-01-05 CN disclosed
WO-2023140729-A1 ORAL DOSAGE FORMS OF A THERAPEUTICALLY ACTIVE ACID-LABILE SALT AND METHODS AND USES RELATED THERETO. RIJKSUNIVERSITEIT GRONINGEN (NL) 2023-07-27 WO disclosed
EP-4212149-A1 ORAL DOSAGE FORMS OF ACID-LABILE SALT AND METHODS AND USES RELATED THERETO RIJKSUNIVERSITEIT GRONINGEN (NL) 2023-07-19 EP disclosed
CN-113976059-A Preparation process and equipment of cellulose citrate phthalate 黄小燕 2022-01-28 CN disclosed
CN-113976059-A Preparation process and equipment of cellulose citrate phthalate 黄小燕 2022-01-28 CN disclosed
CN-113976059-A Preparation process and equipment of cellulose citrate phthalate 黄小燕 2022-01-28 CN disclosed
WO-2009106824-A2 PHARMACEUTICAL FORMULATIONS CIPLA LIMITED (IN) 2009-09-03 WO disclosed
WO-2009087410-A2 SOLID PHARMACEUTICAL DOSAGE FORM CIPLA LIMITED (IN) 2009-07-16 WO disclosed
WO-2009081174-A2 ANTI - RETROVIRAL COMBINATION CIPLA LIMITED (IN) 2009-07-02 WO disclosed
WO-2009056818-A1 NOVEL ANTIRETROVIRAL COMBINATION CIPLA LIMITED (IN) 2009-05-07 WO disclosed
WO-2009016358-A2 PHARMACEUTICAL COMPOSITIONS AND PROCESS FOR MAKING THEM CIPLA LIMITED (IN) 2009-02-05 WO disclosed
WO-2008017867-A2 ANTIRETROVIRAL SOLID ORAL COMPOSITION WITH AT LEAST ONE WATER INSOLUBLE POLYMER CIPLA LIMITED (IN) 2008-02-14 WO disclosed
EP-1117387-A2 COATED MEDICAMENT FORMS WITH CONTROLLED ACTIVE SUBSTANCE RELEASE Röhm GmbH & Co. KG (DE) 2001-07-25 EP disclosed
WO-2000019984-A2 COATED MEDICAMENT FORMS WITH CONTROLLED ACTIVE SUBSTANCE RELEASE RÖHM GMBH (DE) 2000-04-13 WO disclosed