SCHEMBL7709222

SCHEMBL7709222

COc1ccc(/C=C/C(=O)O)c2c1oc1ccncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A1 P04798 4/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2D6 P10635 4/20 0.40
CYP1B1 Q16678 4/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE4B Q07343 4/20 0.37
PDE4A P27815 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37

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
SCHEMBL2562773 0.91 HPGD (0.41) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL2560821 0.91 HPGD (0.41) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL2563005 0.86 CCNC (0.42) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL2556718 0.83 CYP17A1 (0.39) LMNAMAPTCYP1A1CYP1A2CYP1B1
SCHEMBL74295 0.80 PDE4B (0.46) MAPTCYP1A1CYP1B1PDE4BPDE4A
SCHEMBL2562731 0.79 KDM4E (0.39) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL2562733 0.79 KDM4E (0.39) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL2556731 0.78 CCNC (0.42) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL7707992 0.77 PDE4B (0.43) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL74252 0.76 PDE4B (0.46) KMT2ALMNAKDM4EALDH1A1HSD17B10

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
WO-2011132051-A2 TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-10-27 WO disclosed