SCHEMBL28520079

SCHEMBL28520079

C=CCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCC=C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
LMNA P02545 2/20 0.63
MAPT P10636 2/20 0.55
ABCC4 O15439 1/20 0.55
TSHR P16473 3/20 0.50
LPAR3 Q9UBY5 2/20 0.48
LPAR2 Q9HBW0 1/20 0.48
DGKA P23743 1/20 0.48
CYP3A4 P08684 3/20 0.47
USP2 O75604 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DNM1 Q05193 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2741399 1.00 ALDH1A1 (0.63) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL19329252 1.00 ALDH1A1 (0.63) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL8661259 1.00 ALDH1A1 (0.63) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL11337797 1.00 ALDH1A1 (0.63) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL11322829 1.00 ALDH1A1 (0.63) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL11909573 1.00 ALDH1A1 (0.63) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL14244897 1.00 ALDH1A1 (0.63) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL284812 1.00 ALDH1A1 (0.63) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL11326465 1.00 ALDH1A1 (0.63) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL20547697 1.00 ALDH1A1 (0.63) ALDH1A1LMNAMAPTABCC4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108409896-B Ziegler-natta catalyst compositions and uses thereof 朴蓝聚烯烃科技发展(上海)有限公司 2021-02-05 CN claimed
CN-108409896-B Ziegler-natta catalyst compositions and uses thereof 朴蓝聚烯烃科技发展(上海)有限公司 2021-02-05 CN disclosed