SCHEMBL12001998

SCHEMBL12001998

C=C(C)C(CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.69
MAPT P10636 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
ALDH1A1 P00352 2/20 0.69
LMNA P02545 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
KDM4E B2RXH2 2/20 0.69
HPGD P15428 4/20 0.53
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
TSHR P16473 1/20 0.50
ATM Q13315 1/20 0.50
NPC1 O15118 1/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
POLB P06746 3/20 0.45
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL435642 0.86 L3MBTL1 (0.63) L3MBTL1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL6667251 0.84 L3MBTL1 (0.47) L3MBTL1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL9118493 0.84 KDM4E (0.47) L3MBTL1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL12002216 0.83 L3MBTL1 (0.65) L3MBTL1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL1754732 0.82 KMT2A (0.71) L3MBTL1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL21081852 0.81 MAPT (1.00) L3MBTL1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL6201780 0.80 LMNA (0.65) L3MBTL1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL435667 0.79 ALDH1A1 (0.59) L3MBTL1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL10301489 0.79 L3MBTL1 (0.59) L3MBTL1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL2318407 0.78 KCNA5 (0.47) L3MBTL1MAPTSMN1; SMN2ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928827-B1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS INC (US) 2012-08-22 EP disclosed
WO-2007038684-A2 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INC. (US) 2007-04-05 WO disclosed