SCHEMBL21780925

SCHEMBL21780925

Cc1ccc(C(=O)c2ccc(OC3CCCCO3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
MMP13 P45452 1/20 0.40
SRD5A2 P31213 1/20 0.40
PDE4B Q07343 1/20 0.39
HSD11B1 P28845 1/20 0.39
POLB P06746 1/20 0.39
ELANE P08246 1/20 0.39
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1186911 0.93 MEN1 (0.52) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL818344 0.88 TNK2 (0.40) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL11767308 0.87 ELANE (0.52) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL15067474 0.86 MEN1 (0.47) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL5725421 0.86 LSS (0.49) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL15088638 0.85 KMT2A (0.45) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL6203607 0.85 NPC1 (0.47) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL2281345 0.84 SMN1; SMN2 (0.60) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL5427612 0.83 MEN1 (0.44) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL225085 0.82 KMT2A (0.65) MEN1KMT2ALMNAALDH1A1SMN1; 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
EP-3233828-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed