SCHEMBL29286335

SCHEMBL29286335

C=COCc1ccccc1.C=Cc1ccccc1C=C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
IDO1 P14902 1/20 0.40
ALDH1A1 P00352 4/20 0.39
AGXT P21549 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
ALOX15 P16050 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
MAPK14 Q16539 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL145091 0.89 TSHR (0.52) TSHRIDO1ALDH1A1AGXTALOX15
Ethylene SCHEMBL28940632 0.87 TSHR (0.50) TSHRIDO1ALDH1A1AGXTALOX15
Styrene SCHEMBL11234469 0.84 ALDH1A1 (0.56) TSHRIDO1ALDH1A1AGXTCCNB2
SCHEMBL11234470 0.83 TSHR (0.65) TSHRIDO1ALDH1A1AGXTCCNB2
Ethylene Glycol SCHEMBL5794445 0.82 TSHR (0.44) TSHRIDO1ALDH1A1AGXTCA1
SCHEMBL29066959 0.80 TSHR (0.43) TSHRIDO1ALDH1A1AGXTCCNB2
SCHEMBL6889729 0.79 ALDH1A1 (0.44) TSHRALDH1A1LMNA
SCHEMBL16243987 0.78 TSHR (0.41) TSHRIDO1ALDH1A1AGXTALOX15
SCHEMBL5479582 0.78 IDO1 (0.35) TSHRIDO1ALDH1A1AGXTALOX15
SCHEMBL28923748 0.78 ALDH1A1 (0.40) TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053944-A A kind of fluoropolymer resin and its application in high-frequency circuit board 广东生益科技股份有限公司 2018-12-21 CN disclosed