SCHEMBL28211459

SCHEMBL28211459

CCOc1cc(OCC)c(OCC)cc1I

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ LMNA P02545 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NQO1 P15559 1/20 0.36
▸ BPTF Q12830 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL24327309 0.84 LMNA (0.36) TSHRCYP3A4LMNAHSD17B10ALDH1A1
SCHEMBL11491934 0.84 TSHR (0.58) TSHRCYP3A4LMNAHSD17B10ALDH1A1
SCHEMBL12062694 0.81 LMNA (0.41) TSHRCYP3A4LMNAHSD17B10ALDH1A1
SCHEMBL24313567 0.79 L3MBTL1 (0.40) TSHRCYP3A4LMNAHSD17B10ALDH1A1
SCHEMBL23907096 0.76 NQO1 (0.33) TSHRCYP3A4LMNANQO1BPTF
SCHEMBL18023036 0.76 TLR8 (0.50) ALDH1A1MAPTMEN1MAPK1KMT2A
SCHEMBL31461219 0.76 HPGD (0.51) TSHRLMNAALDH1A1HPGDPOLB
SCHEMBL3859532 0.76 HPGD (0.47) TSHRLMNAHSD17B10ALDH1A1KDM4E
SCHEMBL24196687 0.75 ALDH1A1 (0.39) TSHRCYP3A4HSD17B10ALDH1A1KDM4E
SCHEMBL28859629 0.74 TLR8 (0.34) TSHRCYP3A4LMNAHSD17B10ALDH1A1

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-106083803-B A kind of synthetic method of marine natural products Puupehedione 威海惠安康生物科技有限公司 2018-05-04 — — CN claimed
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