SCHEMBL7341805

SCHEMBL7341805

CC(C)(C)OC(=O)N1CCC(CC(=O)N2C(=O)OCC2Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 1/20 0.46
GPR119 Q8TDV5 2/20 0.46
STS P08842 1/20 0.46
YAP1 P46937 3/20 0.45
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RX7 Q99572 2/20 0.43
LMNA P02545 2/20 0.42
SFRP1 Q8N474 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7490108 1.00 KDM4E (0.48) KDM4EPKMALDH1A1GPR119STS
SCHEMBL7341808 1.00 KDM4E (0.48) KDM4EPKMALDH1A1GPR119STS
SCHEMBL22764857 0.94 ALDH1A1 (0.44) KDM4EPKMALDH1A1GPR119STS
SCHEMBL22764722 0.94 ALDH1A1 (0.44) KDM4EPKMALDH1A1GPR119STS
SCHEMBL22764858 0.94 ALDH1A1 (0.44) KDM4EPKMALDH1A1GPR119STS
SCHEMBL29922297 0.94 ALDH1A1 (0.44) KDM4EPKMALDH1A1GPR119STS
SCHEMBL31589019 0.94 ALDH1A1 (0.44) KDM4EPKMALDH1A1GPR119STS
SCHEMBL7895983 0.91 KDM4E (0.47) KDM4EPKMALDH1A1GPR119STS
SCHEMBL6867582 0.91 KDM4E (0.47) KDM4EPKMALDH1A1GPR119STS
SCHEMBL6923165 0.91 KDM4E (0.47) KDM4EPKMALDH1A1GPR119STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118055927-A Substituted phenylpropionic acid derivative and application thereof 上海拓界生物医药科技有限公司 2024-05-17 CN disclosed
CN-116322700-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-23 CN disclosed
WO-2023078333-A1 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF 上海拓界生物医药科技有限公司 2023-05-11 WO disclosed
EP-1173170-A4 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2002-05-29 EP disclosed
EP-1173170-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-23 EP disclosed
US-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 US disclosed
WO-2000059503-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed
EP-0766672-B1 ARYLSULFONAMIDO-SUBSTITUTED HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS NOVARTIS AG (CH) 2000-10-04 EP disclosed
EP-0606046-B1 Arylsulfonamido-substituted hydroxamic acids CIBA GEIGY AG (CH) 1997-10-08 EP disclosed
US-5646167-A ADMINISTERED AS METALLOPROTEINASE INHIBITOR, ANTITUMOR OR ANTICARCINOGENIC AGENT CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5552419-A METALLOPROTEINASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-09-03 US disclosed
US-5506242-A METALLOELASTASE INHIBITOR; TREATS EMPHYSEMA CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed
EP-0606046-A1 Arylsulfonamido-substituted hydroxamic acids CIBA-GEIGY AG (CH) 1994-07-13 EP disclosed