SCHEMBL3321719

SCHEMBL3321719

Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](C)N3C(=O)CCC3=O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CMA1 P23946 3/20 0.42

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
SCHEMBL7132691 0.88 OPRM1 (0.51) KDM4EALDH1A1HPGDOPRM1OPRD1
SCHEMBL29442429 0.88 FKBP4 (0.48) KDM4EALDH1A1HPGDOPRM1OPRD1
SCHEMBL2967595 0.86 RAB9A (0.52) KDM4EALDH1A1HPGDRAB9ATDP1
SCHEMBL615204 0.84 TDP1 (0.41) KDM4EALDH1A1HPGDOPRM1OPRD1
SCHEMBL29543702 0.82 FKBP4 (0.47) KDM4EALDH1A1HPGDOPRM1OPRD1
SCHEMBL410223 0.81 FKBP4 (0.54) CMA1
SCHEMBL1289940 0.81 CMA1 (0.54) CMA1
SCHEMBL3325560 0.80 TACR1 (0.43) OPRM1OPRD1OPRK1CMA1
SCHEMBL30070746 0.80 KDM4E (0.50) KDM4EALDH1A1HPGDOPRM1OPRD1
SCHEMBL29442434 0.79 KDM4E (0.43) KDM4EALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114685472-B Polysubstituted uracil derivative and use thereof 广东东阳光药业股份有限公司 2024-04-26 CN disclosed
US-20230047207-A1 Self-Contained Biological Indicator with Salt Compound SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2023-02-16 US disclosed
CN-114981399-A Self-contained biological indicator with salt compound 3M创新有限公司 2022-08-30 CN disclosed
WO-2022135502-A1 MULTI-SUBSTITUTED URACIL DERIVATIVE AND USE THEREOF 广东东阳光药业有限公司 2022-06-30 WO disclosed
WO-2022135514-A1 MULTI-SUBSTITUTED URACIL DERIVATIVES AND USE THEREOF 广东东阳光药业有限公司 2022-06-30 WO disclosed
WO-2022135534-A1 SUBSTITUTED NITROGEN-CONTAINING BICYCLIC COMPOUND AND USE THEREOF 广东东阳光药业有限公司 2022-06-30 WO disclosed
WO-2021148909-A1 SELF-CONTAINED BIOLOGICAL INDICATOR WITH SALT COMPOUND 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-07-29 WO disclosed
CN-112437676-A Self-contained biological indicator 3M创新有限公司 2021-03-02 CN disclosed
US-7741344-B2 Process for preparing purified S-BEL and R-BEL and compositions thereof WASHINGTON UNIVERSITY IN ST. LOUIS (US) 2010-06-22 US disclosed
US-20050181496-A1 Process for preparing purified s-bel and r-bel and compositions thereof WASHINGTON UNIVERSITY 2005-08-18 US disclosed
WO-2003079996-A2 PROCESS FOR PREPARING PURIFIED S-BEL AND R-BEL AND COMPOSITIONS THEREOF WASHINGTON UNIVERSITY IN ST. LOUIS (US) 2003-10-02 WO disclosed