SCHEMBL13769007

SCHEMBL13769007

Cc1ccc(C)c(-c2cc(=O)oc3ccccc23)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.59
▸ ALDH1A1 P00352 4/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MAOA P21397 1/20 0.51
▸ NQO1 P15559 1/20 0.49
▸ KCNA3 P22001 3/20 0.48
▸ CA12 O43570 3/20 0.47
▸ CA9 Q16790 3/20 0.47
▸ CA1 P00915 1/20 0.47
▸ MAPK1 P28482 1/20 0.44
▸ TNKS O95271 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.44
▸ PARP2 Q9UGN5 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL30228412 0.85 KCNA3 (0.62) LMNAALDH1A1SMN1; SMN2MAOANQO1
SCHEMBL5691199 0.85 KCNA3 (0.62) LMNAALDH1A1SMN1; SMN2MAOANQO1
SCHEMBL5396825 0.83 NQO1 (0.67) LMNAALDH1A1SMN1; SMN2MAOANQO1
SCHEMBL14424518 0.79 LMNA (0.50) LMNAALDH1A1SMN1; SMN2MAOANQO1
SCHEMBL7124523 0.78 ALDH1A1 (0.55) LMNAALDH1A1SMN1; SMN2CA1TNKS
SCHEMBL13769543 0.78 CA12 (0.70) LMNAALDH1A1MAOANQO1KCNA3
SCHEMBL14424517 0.78 CA12 (0.61) LMNAALDH1A1SMN1; SMN2MAOACA12
SCHEMBL30228452 0.78 ALDH1A1 (0.59) LMNAALDH1A1SMN1; SMN2MAOANQO1
SCHEMBL31089772 0.76 ALDH1A1 (0.50) LMNAALDH1A1SMN1; SMN2MAOANQO1
SCHEMBL17059027 0.76 MAPT (0.51) LMNAALDH1A1SMN1; SMN2MAOAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709699-B1 CONJUGATED POLYMERS, REPRESENTATION THEREOF, AND USE OF THE SAME MERCK PATENT GMBH (DE) 2009-07-01 — — EP disclosed
US-20070123690-A1 Conjugated polymers, representation thereof, and use of the same MERCK PATENT GMBH (DE) 2007-05-31 — — US disclosed
US-20070123690-A1 Conjugated polymers, representation thereof, and use of the same MERCK PATENT GMBH (DE) 2007-05-31 — — US disclosed
Send feedback