SCHEMBL13513675

SCHEMBL13513675

C=C(CC(CCOC(C)(C)C(C)(C)C(=C)C(C)OC(C)(C)C)CC(=O)Nc1ccccc1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.35
HDAC3 O15379 10/20 0.35
HDAC1 Q13547 10/20 0.35
HDAC2 Q92769 10/20 0.35
HDAC8 Q9BY41 10/20 0.35
HDAC6 Q9UBN7 10/20 0.35
HDAC4 P56524 9/20 0.35
HDAC7 Q8WUI4 9/20 0.35
HDAC10 Q969S8 9/20 0.35
HDAC11 Q96DB2 9/20 0.35
HDAC9 Q9UKV0 9/20 0.35
HDAC5 Q9UQL6 9/20 0.35
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 2/20 0.32

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
SCHEMBL13513670 0.67 MEN1 (0.30)
SCHEMBL17081338 0.64 KLK7 (0.56) LMNATSHRMAPTALDH1A1HSP90AA1
SCHEMBL13513590 0.61 CPA1 (0.33) MAPT
SCHEMBL3026961 0.61 HPGD (0.65) HPGDLMNATSHRHDAC3HDAC1
SCHEMBL11430509 0.61 LMNA (0.65) HPGDLMNATSHRHDAC3HDAC1
SCHEMBL3021548 0.60 LMNA (0.86) HPGDLMNATSHRHDAC3HDAC1
SCHEMBL29262888 0.60 HDAC3 (0.61) HPGDLMNATSHRHDAC3HDAC1
SCHEMBL433114 0.60 MAPT (0.58) HPGDMAPTALDH1A1KDM4EGAA
SCHEMBL6370480 0.59 HPGD (0.51) HPGDLMNATSHRHDAC3HDAC1
SCHEMBL8245328 0.59 RAB9A (0.56) HPGDLMNATSHRMAPTALDH1A1

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-1758949-B1 POLYHYDROXYALKANOATE HAVING VINYL GROUP, ESTER GROUP, CARBOXYL GROUP AND SULFONIC ACID GROUP, AND PRODUCTION METHOD THEREOF CANON KK (JP) 2010-01-13 EP disclosed