SCHEMBL30003032

SCHEMBL30003032

COCCOc1c2c(c(OCCOC)c3ccccc13)CC=CC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
MPO P05164 2/20 0.38
PTGER4 P35408 3/20 0.33
LDHA P00338 1/20 0.33
KDM1A O60341 2/20 0.33
CA2 P00918 1/20 0.33
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL12997431 1.00 TSHR (0.40) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL23271735 0.84 PTGER4 (0.41) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL30004147 0.84 PTGER4 (0.41) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL12997430 0.83 TSHR (0.34) TSHRALDH1A1SMN1; SMN2KDM4EMPO
SCHEMBL29502702 0.82 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL5397834 0.82 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL12997429 0.82 MAPT (0.35) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL30004208 0.82 TSHR (0.40) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL23271657 0.82 TSHR (0.40) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL23271669 0.82 PTGER4 (0.43) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed