SCHEMBL30002980

SCHEMBL30002980

CCCCCCCCCOC(=O)Oc1c2ccccc2c(OC(=O)OCCCCCCCCC)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
ALDH1A1 P00352 4/20 0.57
LMNA P02545 3/20 0.57
MAPK1 P28482 2/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PPARG P37231 3/20 0.46
ELANE P08246 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL30003385 1.00 TSHR (0.57) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL30004151 1.00 TSHR (0.57) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL19583397 1.00 TSHR (0.57) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL19583356 1.00 TSHR (0.57) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL30003019 1.00 TSHR (0.57) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL23271662 1.00 TSHR (0.57) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL30004059 1.00 TSHR (0.57) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL20695794 1.00 TSHR (0.57) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL20695795 1.00 TSHR (0.57) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL30004024 1.00 TSHR (0.57) TSHRALDH1A1LMNAMAPK1TP53

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