SCHEMBL9309716

SCHEMBL9309716

C=CCc1ccc(OC(=O)CCC)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.71
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
CYP3A4 P08684 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
ALDH1A1 P00352 5/20 0.63
PPARA Q07869 3/20 0.63
PPARG P37231 1/20 0.63
PPARD Q03181 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 3/20 0.58
KDM4E B2RXH2 2/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
ALOX15 P16050 1/20 0.57
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
PRSS1 P07477 1/20 0.56

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
SCHEMBL6861607 0.93 PTGS1 (0.76) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL30464902 0.93 PTGS1 (0.76) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL11613528 0.92 PTGS1 (0.67) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL20723700 0.91 PTGS1 (0.66) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL20723797 0.90 PTGS1 (0.64) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL20723701 0.90 PTGS1 (0.64) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL20723822 0.90 PTGS1 (0.64) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL20739903 0.90 PTGS1 (0.64) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL951307 0.90 PTGS1 (0.64) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL6863539 0.89 PTGS1 (0.71) PTGS1MEN1KMT2ACYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019030643-A1 COMPOSITIONS OF EUGENOL DERIVATIVES FOR TREATMENT OF VISCERAL LEISHMANIASIS FOUNDATION FOR NEGLECTED DISEASE RESEARCH (IN) 2019-02-14 WO disclosed
CN-106999973-A System and method for discharging edible material 阿甘芳香和精细化工有限公司 2017-08-01 CN disclosed
CN-105434638-A External preparation used for treating gynaecology cervicitis SHENG QINGSHI 2016-03-30 CN disclosed
CN-104189192-B Traditional Chinese medicine bath for treating urticaria and preparation method thereof JING YING (CN) 2016-03-30 CN disclosed
CN-105250458-A Medicated bath for treating urticaria and preparing method JING YING 2016-01-20 CN disclosed
CN-105168494-A Medicated bath for treating urticaria JING YING 2015-12-23 CN disclosed
CN-105168495-A Preparation method of traditional Chinese medicine medicated bath for treating urticaria JING YING 2015-12-23 CN disclosed
CN-105168493-A Medicated bath for treating urticaria JING YING 2015-12-23 CN disclosed
CN-105147825-A Traditional Chinese medicine bath for treating urticaria JING YING 2015-12-16 CN disclosed
CN-104189192-A Traditional Chinese medicine bath for treating urticaria and preparation method thereof JING YING 2014-12-10 CN disclosed
EP-2528898-A2 NOVEL COMPOSITIONS FOR REDUCING Aß 42 PRODUCTION AND THEIR USE IN TREATING ALZHEIMER'S DISEASE (AD) Kareus Therapeutics SA (FR) 2012-12-05 EP disclosed
US-5344994-A Process for the preparation of coniferyl aldehyde HAARMANN & REIMER GMBH (DE) 1994-09-06 US disclosed