SCHEMBL9741129

SCHEMBL9741129

CCCCCN1CCN(CCOc2cc(C(C)C)ccc2C)CC1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.75
L3MBTL1 Q9Y468 2/20 0.75
LMNA P02545 1/20 0.75
HTT P42858 2/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
ACHE P22303 7/20 0.51
BCHE P06276 6/20 0.51
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LTA4H P09960 1/20 0.43

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
SCHEMBL9627983 0.85 SMN1; SMN2 (1.00) ALDH1A1L3MBTL1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL10546975 0.84 SMN1; SMN2 (0.97) ALDH1A1L3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL31039479 0.82 LMNA (0.62) ALDH1A1L3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL12778520 0.82 LMNA (0.61) ALDH1A1L3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL9739727 0.81 HTT (0.71) ALDH1A1L3MBTL1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL9736862 0.80 HTT (0.70) ALDH1A1L3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL9740908 0.78 HTT (0.67) ALDH1A1L3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL22911500 0.78 SMN1; SMN2 (0.61) ALDH1A1L3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL9741116 0.78 ATM (0.59) ALDH1A1L3MBTL1HTTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL9741004 0.77 HTT (0.65) ALDH1A1L3MBTL1LMNAHTTSMN1; SMN2

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
US-5110816-A Urogenital disorders INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (I.R.C.E.B.A.) (FR) 1992-05-05 US disclosed