SCHEMBL9751879

SCHEMBL9751879

CCCc1ccc(-c2ccc(C(C)c3ccc(OCC)nc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.40
ACACA Q13085 3/20 0.40
CYP19A1 P11511 1/20 0.38
MAPT P10636 3/20 0.37
PSMB5 P28074 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR1 O14842 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL8969875 0.82 MAPT (0.46) ACACBCYP19A1MAPTSMN1; SMN2RAB9A
SCHEMBL12204789 0.78 MAPT (0.41) ACACBMAPTSMN1; SMN2FFAR1
SCHEMBL12204752 0.77 ACACB (0.39) ACACBCYP19A1MAPTFFAR1PIK3CD
SCHEMBL20784571 0.77 MAPT (0.49) ACACBCYP19A1MAPTSMN1; SMN2RAB9A
SCHEMBL8968866 0.76 ACACB (0.62) ACACB
SCHEMBL10459939 0.75 ACACB (0.41) ACACBACACAMAPTSMN1; SMN2RAB9A
SCHEMBL9621041 0.74 LPL (0.46) ACACBACACAHTTSMN1; SMN2L3MBTL1
SCHEMBL12230280 0.74 ACACB (0.47) ACACBCYP19A1MAPT
SCHEMBL12204799 0.74 HPGD (0.48) ACACBMAPTSMN1; SMN2FFAR1
SCHEMBL8969725 0.74 MAPT (0.54) CYP19A1MAPTSMN1; SMN2RAB9AL3MBTL1

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-0445257-A1 PYRIDINE DERIVATIVES AND A LIQUID CRYSTAL MEDIUM. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed