SCHEMBL8525800

SCHEMBL8525800

C=C(N)COC(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
GAA P10253 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.56
TDP1 Q9NUW8 2/20 0.55
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.53
HIF1A Q16665 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 3/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50

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
Benzoic Acid Carbamoylmethyl Ester SCHEMBL2347515 0.84 KDM4E (0.86) KDM4EALDH1A1L3MBTL1GAASMN1; SMN2
SCHEMBL14457923 0.84 TDP1 (0.59) KDM4EALDH1A1L3MBTL1GAASMN1; SMN2
SCHEMBL9603425 0.83 LMNA (0.59) KDM4EALDH1A1L3MBTL1GAASMN1; SMN2
Benzoic Acid Carbamoylmethyl Ester SCHEMBL1151117 0.82 KDM4E (0.83) KDM4EALDH1A1L3MBTL1GAASMN1; SMN2
SCHEMBL5143592 0.82 TDP1 (0.57) KDM4EALDH1A1L3MBTL1GAASMN1; SMN2
SCHEMBL4850895 0.81 KDM4E (0.64) KDM4EALDH1A1L3MBTL1GAASMN1; SMN2
SCHEMBL6354305 0.81 RAB9A (0.57) KDM4EALDH1A1L3MBTL1GAASMN1; SMN2
SCHEMBL889453 0.81 TDP1 (0.55) KDM4EALDH1A1L3MBTL1GAASMN1; SMN2
SCHEMBL28838505 0.81 ALDH1A1 (0.64) KDM4EALDH1A1L3MBTL1GAASMN1; SMN2
SCHEMBL10512187 0.81 TDP1 (0.55) KDM4EALDH1A1L3MBTL1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11269179-A None JP disclosed
CN-113660926-B capsule 宝洁公司 2025-03-07 CN disclosed
CN-114007734-B Method for preparing capsules 宝洁公司 2025-01-17 CN disclosed
CN-114007734-A Method for preparing capsules 宝洁公司 2022-02-01 CN disclosed
CN-113660926-A Capsule 宝洁公司 2021-11-16 CN disclosed
CN-113631695-A Capsule 宝洁公司 2021-11-09 CN disclosed
JP-H11269179-A PRODUCTION OF 1-ALKYL ISOINDOLINE-5-BORONIC ACID DERIVATIVE AND INTERMEDIATE THEREFOR TOYAMA CHEM CO LTD 1999-10-05 JP disclosed