SCHEMBL31282446

SCHEMBL31282446

CCCCC1(CCCC)c2ccccc2-c2ccc(C(=O)C(C)N3CCOCC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ TSHR P16473 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CHRNA1 P02708 2/20 0.38
▸ CHRNG P07510 2/20 0.38
▸ CHRNB1 P11230 2/20 0.38
▸ CHRNB2 P17787 2/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ CHRNB4 P30926 2/20 0.38
▸ CHRNA3 P32297 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ CHRND Q07001 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL22462062 0.81 PDK2 (0.43) GAAKDM4EAPEX1PDK2
SCHEMBL29987669 0.81 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1HRH3TSHRHPGD
SCHEMBL22474742 0.81 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1HRH3TSHRHPGD
SCHEMBL30569665 0.81 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1HRH3TSHRHPGD
SCHEMBL23805902 0.76 PDK2 (0.41) KDM4ECYP2C19APEX1PDK2
SCHEMBL23805927 0.76 PDK2 (0.35) SMN1; SMN2GAALMNAALDH1A1TSHR
SCHEMBL16550638 0.75 PDK2 (0.53) MAPTAPEX1PDK2
SCHEMBL23805933 0.75 PDK2 (0.44) ALDH1A1MAPTAPEX1PDK2
SCHEMBL18235863 0.74 PDK2 (0.45) SMN1; SMN2MAPTAPEX1PDK2
SCHEMBL23805907 0.73 APEX1 (0.47) SMN1; SMN2ALDH1A1HPGDMEN1MAPT

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-119144241-A Ultraviolet curing adhesive for net-shaped optical fiber ribbon and preparation method thereof 武汉长盈鑫科技有限公司 2024-12-17 — — CN disclosed
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