SCHEMBL25798772

SCHEMBL25798772

CCc1ccc(COc2cc(C)cc(CC)c2C=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TACR2 P21452 1/20 0.40
BRD4 O60885 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
GAA P10253 2/20 0.36
CCR5 P51681 1/20 0.36

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
SCHEMBL25798799 0.81 LMNA (0.46) MAPTSMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL16769157 0.79 SMN1; SMN2 (0.47) MAPTSMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL1225504 0.76 ERN1 (0.47) MAPTSMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL1841867 0.75 L3MBTL1 (0.49) MAPTSMN1; SMN2L3MBTL1MAOAMAOB
SCHEMBL22090729 0.75 SMN1; SMN2 (0.53) MAPTSMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL9441516 0.75 BRD4 (0.51) MAPTSMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL1225897 0.73 ERN1 (0.39) LMNAALDH1A1HPGDGAA
SCHEMBL12581731 0.72 SMN1; SMN2 (0.50) MAPTSMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL8761770 0.72 MAPT (0.49) MAPTSMN1; SMN2L3MBTL1MAOAMAOB
SCHEMBL15356468 0.72 MAPT (0.49) MAPTSMN1; SMN2LMNAL3MBTL1HPGD

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
EP-3894402-B1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2023-07-05 EP disclosed