SCHEMBL29059334

SCHEMBL29059334

Cc1ccc(C)c(OC(=O)CCl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 3/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 2/20 0.50
CYP2C9 P11712 2/20 0.47
ACHE P22303 1/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46

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
SCHEMBL18076004 0.86 L3MBTL1 (0.57) HTTLMNATDP1GAATUBB4A
SCHEMBL7533286 0.84 ACHE (0.66) HTTLMNATDP1GAATSHR
SCHEMBL24177014 0.83 TUBB4A (0.60) TDP1GAACYP2C9ACHETUBB4A
SCHEMBL11598343 0.82 TDP1 (0.51) HTTLMNATDP1GAATSHR
SCHEMBL29059062 0.82 TDP1 (0.51) HTTLMNATDP1GAATSHR
SCHEMBL11646714 0.82 TDP1 (0.51) HTTLMNATDP1GAATSHR
SCHEMBL29059269 0.82 TDP1 (0.51) HTTLMNATDP1GAATSHR
SCHEMBL22580481 0.81 TYR (0.58) ACHE
SCHEMBL22580428 0.81 L3MBTL1 (0.56) LMNATDP1L3MBTL1ALDH1A1MAPT
SCHEMBL12612639 0.81 TUBB4A (0.40) HTTLMNATDP1GAATUBB4A

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-114409664-B Spiro heterocyclic tetrahydropyran compound and preparation method and application thereof 河北威远生物化工有限公司 2023-07-18 CN disclosed