SCHEMBL21384986

SCHEMBL21384986

CCC(O)=C(C)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
EGLN1 Q9GZT9 2/20 0.38
TDP1 Q9NUW8 2/20 0.36
FFAR3 O14843 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TET2 Q6N021 1/20 0.33
TGFBR1 P36897 1/20 0.33
TSHR P16473 3/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL11145994 1.00 ALDH1A1 (0.40) ALDH1A1EGLN1TDP1FFAR3MGAM
SCHEMBL27410024 0.80 ALDH1A1 (0.36) ALDH1A1TDP1FFAR3TSHRLMNA
SCHEMBL14743309 0.79 ALDH1A1 (0.58) ALDH1A1EGLN1TSHR
SCHEMBL5385555 0.78 ALDH1A1 (0.46) ALDH1A1EGLN1TDP1FFAR3MGAM
SCHEMBL3276605 0.78 ALDH1A1 (0.46) ALDH1A1EGLN1TDP1FFAR3MGAM
SCHEMBL8165949 0.77 ALDH1A1 (0.42) ALDH1A1EGLN1TDP1FFAR3MGAM
SCHEMBL5280336 0.77 ALDH1A1 (0.42) ALDH1A1EGLN1TDP1FFAR3MGAM
SCHEMBL7941633 0.77 ALDH1A1 (0.42) ALDH1A1EGLN1TDP1FFAR3MGAM
Ammonia Solution, Strong SCHEMBL1021440 0.75 ALDH1A1 (0.40) ALDH1A1EGLN1TDP1FFAR3MGAM
SCHEMBL29134074 0.75 ALDH1A1 (0.40) ALDH1A1EGLN1TDP1FFAR3MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106398434-B The preparation method and applications of selfreparing micro-capsule and liquid-type selfreparing anti-blue light optical coating 温州生物材料与工程研究所 2018-09-04 CN claimed
CN-106398434-A Preparation method and application of self-repairing microcapsule and liquid type blue-light-resistant optical coating 温州生物材料与工程研究所 2017-02-15 CN claimed
CN-105879114-A DRUGS WITH IMPROVED HYDROPHOBICITY FOR INCORPORATION IN MEDICAL DEVICES 阿布拉西斯生物科学公司 2016-08-24 CN claimed
CN-105688289-A Drugs with improved hydrophobicity for incorporation in medical devices 阿布拉西斯生物科学公司 2016-06-22 CN claimed
CN-104667355-A Drugs with improved hydrophobicity for incorporation in medical devices ABRAXIS BIOSCIENCE LLC 2015-06-03 CN claimed
WO-2019180653-A1 COMPOSITIONS, MATERIALS, AND METHODS FOR DEACTIVATING TOXIC AGENTS INSTITUTE FOR STEM CELL BIOLOGY AND REGENERATIVE MEDICINE (INSTEM) (IN) 2019-09-26 WO disclosed
CN-106256762-B preparation method of multilayer graphene 光州科学技术院 2019-06-21 CN disclosed
CN-208481529-U A kind of modified form back room artificial lens 沈阳百奥医疗器械有限公司 2019-02-12 CN disclosed
CN-106398434-A Preparation method and application of self-repairing microcapsule and liquid type blue-light-resistant optical coating 温州生物材料与工程研究所 2017-02-15 CN disclosed
CN-101917945-A Treatment of dysmenorrhea by transdermal administration of non-steroidal anti-inflammatory drugs TEIKOKU PHARMA USA INC 2010-12-15 CN disclosed