SCHEMBL29979281

SCHEMBL29979281

C=C(C#N)c1ccc(OCCCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ PLA2G4B P0C869 2/20 0.49
▸ LTA4H P09960 2/20 0.47
▸ NR5A1 Q13285 1/20 0.47
▸ RARB P10826 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 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
SCHEMBL11599496 0.86 NQO1 (0.52) GAARAB9ATSHRPLA2G4BLTA4H
SCHEMBL10684392 0.80 GAA (0.58) GAARAB9ATP53TSHRPLA2G4B
SCHEMBL5033226 0.78 GAA (0.56) GAARAB9ATP53TSHRPLA2G4B
SCHEMBL11478351 0.77 TP53 (0.60) GAARAB9ATP53TSHRPLA2G4B
SCHEMBL11478346 0.77 TP53 (0.60) GAARAB9ATP53TSHRPLA2G4B
SCHEMBL27411543 0.77 THRA (0.51) TP53TSHRRARBLMNAHSD17B10
1,4-Dimethoxybenzene SCHEMBL28111450 0.76 MAPT (0.50) GAATSHRMAPTALDH1A1HPGD
SCHEMBL7670673 0.76 MAPT (0.50) GAATSHRMAPTALDH1A1HPGD
SCHEMBL5033563 0.75 TP53 (0.62) GAARAB9ATP53TSHRPLA2G4B
SCHEMBL20156660 0.74 ALDH1A1 (0.54) GAARAB9ATP53TSHRPLA2G4B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115161035-B Light response cholesteric liquid crystal gel, preparation method and application thereof 华中科技大学 2023-10-20 — — CN claimed
CN-115161035-B Light response cholesteric liquid crystal gel, preparation method and application thereof 华中科技大学 2023-10-20 — — CN disclosed
CN-115161035-A Photoresponse cholesteric liquid crystal gel, and preparation method and application thereof 华中科技大学 2022-10-11 — — CN disclosed
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