SCHEMBL28811140

SCHEMBL28811140

OCc1ccc(CN2CCCC2)o1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
GAA P10253 1/20 0.53
HRH3 Q9Y5N1 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.44
ACHE P22303 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL7329753 0.98 KDM4E (0.55) KDM4EGAAHRH3ALDH1A1NPSR1
SCHEMBL11186313 0.92 ALDH1A1 (0.50) KDM4EGAAALDH1A1NPSR1HTT
SCHEMBL4143256 0.85 HTT (0.61) HRH3ALDH1A1NPSR1HTTKMT2A
SCHEMBL11523316 0.83 ALDH1A1 (0.41) KDM4EGAAALDH1A1NPSR1HTT
SCHEMBL4144775 0.83 ALDH1A1 (0.55) KDM4EALDH1A1NPSR1HTTKMT2A
SCHEMBL14375213 0.80 ACHE (0.49) HRH3ALDH1A1NPSR1ACHEKMT2A
SCHEMBL9840038 0.80 KDM4E (0.49) KDM4EGAAHRH3ALDH1A1NPSR1
SCHEMBL9840045 0.80 KDM4E (0.49) KDM4EGAAHRH3ALDH1A1NPSR1
SCHEMBL24160846 0.78 KDM4E (0.51) KDM4EGAAHRH3ALDH1A1NPSR1
SCHEMBL13990823 0.78 KDM4E (0.51) KDM4EGAAHRH3ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114854493-A Preparation method of Maillard reaction product by using raisin extract 深圳波顿香料有限公司 2022-08-05 CN disclosed
CN-103804388-B 4 β-nitrogen substituted furan tertiary amines podophyllotoxin derivative and preparation method thereof and application INSTITUTE OF MEDICINAL PLANT DEVELOPMENT, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2016-03-23 CN disclosed
CN-103804388-A 4beta-nitrogen-substituted furan tertiary amine podophyllotoxin derivative as well as preparation method and application thereof ZOU ZHONGMEI 2014-05-21 CN disclosed