SCHEMBL28343146

SCHEMBL28343146

C=CC(=O)Oc1cc(C(=O)OCCC)ccc1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 5/20 0.46
ESR1 P03372 3/20 0.46
CHRM1 P11229 1/20 0.46
TSHR P16473 1/20 0.46
SLC6A2 P23975 1/20 0.46
KDR P35968 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.43
THRB P10828 3/20 0.40
THRA P10827 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
STS P08842 1/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL28343131 0.90 HSD17B2 (0.49) KDM4EPOLBALDH1A1ESR1MAPT
SCHEMBL28345932 0.85 KDM4E (0.51) KDM4EPOLBALDH1A1ESR1CHRM1
SCHEMBL17393732 0.84 KDM4E (0.50) KDM4EPOLBALDH1A1ESR1CHRM1
SCHEMBL15060570 0.79 TSHR (0.58) KDM4EPOLBALDH1A1ESR1CHRM1
SCHEMBL22862955 0.76 LMNA (0.47) KDM4EPOLBALDH1A1ESR1CHRM1
SCHEMBL1092918 0.75 KDM4E (0.62) KDM4EPOLBALDH1A1ESR1CHRM1
SCHEMBL28343239 0.74 HSD17B2 (0.49) KDM4EPOLBALDH1A1ESR1MAPT
SCHEMBL13007388 0.73 TSHR (0.53) KDM4EPOLBALDH1A1ESR1CHRM1
SCHEMBL17393720 0.73 HSD17B2 (0.48) KDM4EALDH1A1ESR1MAPTNPC1
SCHEMBL15322138 0.72 HSD17B2 (0.54) KDM4EPOLBALDH1A1ESR1TSHR

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-110684162-B 4D printing resin and preparation method and application thereof 中国科学院福建物质结构研究所 2020-10-02 CN claimed
CN-110684162-B 4D printing resin and preparation method and application thereof 中国科学院福建物质结构研究所 2020-10-02 CN disclosed
CN-110684162-A 4D printing resin and preparation method and application thereof 中国科学院福建物质结构研究所 2020-01-14 CN disclosed