SCHEMBL31059015

SCHEMBL31059015

COc1cc(C(C)=O)cc(SC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.55
▸ ABCB1 P08183 2/20 0.48
▸ TPMT P51580 1/20 0.45
▸ MAPT P10636 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ TUBB4A P04350 2/20 0.42
▸ TUBB P07437 2/20 0.42
▸ TUBA3C P0DPH7 2/20 0.42
▸ TUBA1B P68363 2/20 0.42
▸ TUBA4A P68366 2/20 0.42
▸ TUBB4B P68371 2/20 0.42
▸ TUBB3 Q13509 2/20 0.42
▸ TUBB2A Q13885 2/20 0.42
▸ TUBB8 Q3ZCM7 2/20 0.42
▸ TUBA3E Q6PEY2 2/20 0.42
▸ TUBA1A Q71U36 2/20 0.42
▸ TUBA1C Q9BQE3 2/20 0.42
▸ TUBB6 Q9BUF5 2/20 0.42

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
SCHEMBL24253153 1.00 LMNA (0.55) LMNAABCB1TPMTMAPTHTT
SCHEMBL290542 0.83 LMNA (0.69) LMNATPMTMAPTHTTALDH1A1
Hydrochloric Acid SCHEMBL29142671 0.81 LMNA (0.67) LMNATPMTMAPTHTTALDH1A1
SCHEMBL24253152 0.81 LMNA (0.49) LMNATPMTMAPTHTTALDH1A1
SCHEMBL1928259 0.78 LMNA (0.62) LMNATPMTMAPTHTTALDH1A1
SCHEMBL11808062 0.77 LMNA (0.52) LMNATPMTHTTALDH1A1KMT2A
SCHEMBL10804813 0.77 ALDH1A1 (0.51) LMNATPMTMAPTALDH1A1KMT2A
SCHEMBL12245712 0.77 TPMT (0.73) LMNATPMTMAPTHTTKMT2A
Chloroform SCHEMBL7815652 0.77 LMNA (0.60) LMNATPMTMAPTHTTALDH1A1
SCHEMBL786462 0.77 LMNA (0.60) LMNATPMTMAPTHTTALDH1A1

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-118388357-A Heteroatom-containing chalcone derivative and preparation method and application thereof 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2024-07-26 — — CN disclosed
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