SCHEMBL17413619

SCHEMBL17413619

Cc1ccc(/C=C(\C#N)C(=O)O)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
MAPT P10636 8/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
TP53 P04637 6/20 0.62
L3MBTL1 Q9Y468 3/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
KDM4E B2RXH2 2/20 0.60
RXFP1 Q9HBX9 1/20 0.59
LMNA P02545 2/20 0.58
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
THRB P10828 1/20 0.54
PKM P14618 2/20 0.53
POLB P06746 2/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL1176655 0.83 LMNA (0.64) ALDH1A1MAPTSMN1; SMN2TP53L3MBTL1
SCHEMBL17465993 0.83 LMNA (0.64) ALDH1A1MAPTSMN1; SMN2TP53L3MBTL1
SCHEMBL1176657 0.83 LMNA (0.64) ALDH1A1MAPTSMN1; SMN2TP53L3MBTL1
SCHEMBL2137579 0.80 LMNA (0.74) ALDH1A1MAPTSMN1; SMN2TP53L3MBTL1
SCHEMBL2137583 0.80 LMNA (0.74) ALDH1A1MAPTSMN1; SMN2TP53L3MBTL1
SCHEMBL19034431 0.80 LMNA (0.46) ALDH1A1MAPTSMN1; SMN2TP53MEN1
SCHEMBL19034414 0.80 MAPT (0.48) ALDH1A1MAPTSMN1; SMN2TP53L3MBTL1
SCHEMBL11926985 0.77 ALDH1A1 (0.73) ALDH1A1MAPTSMN1; SMN2TP53L3MBTL1
SCHEMBL7269702 0.75 MAPT (0.66) ALDH1A1MAPTSMN1; SMN2TP53L3MBTL1
SCHEMBL8824420 0.75 MAPT (0.66) ALDH1A1MAPTSMN1; SMN2TP53L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9697956-B2 Diketopyrrolopyrole (DPP)-based sensitizers for electrochemical or optoelectronic devices ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2017-07-04 US disclosed
US-9691555-B2 Photosensitive porphyrin dyes for dye-sensitized solar cells NATIONAL CHUNG HSING UNIVERSITY (TW) 2017-06-27 US disclosed
EP-2892977-B9 DIKETOPYRROLOPYROLE (DPP)-BASED SENSITIZERS FOR ELECTROCHEMICAL OR OPTOELECTRONIC DEVICES ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) 2017-05-03 EP disclosed
EP-2977412-A2 PHOTOSENSITIVE PORPHYRIN-BASED DYE AND DYE-SENSITIZED SOLAR CELL National Chung Hsing University (TW) 2016-01-27 EP disclosed
US-20160005546-A1 PHOTOSENSITIVE PORPHYRIN DYES FOR DYE-SENSITIZED SOLAR CELLS NATIONAL CHUNG HSING UNIVERSITY (TW) 2016-01-07 US disclosed