SCHEMBL6624909

SCHEMBL6624909

COc1c(Cl)cc(C(=O)CCCC(=O)O)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.55
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
TPMT P51580 1/20 0.49
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL6628602 0.82 POLB (0.61) PDE4BALDH1A1KDM4EGAATPMT
SCHEMBL6626908 0.81 PDE4B (0.45) PDE4BALDH1A1KDM4EGAATPMT
SCHEMBL5080187 0.80 PDE4B (0.54) PDE4BALDH1A1KDM4EPOLBMAPK1
SCHEMBL28656864 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EGAATPMTTAS1R3
SCHEMBL25187287 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EGAATPMTTAS1R3
SCHEMBL14495122 0.76 ALDH1A1 (0.55) ALDH1A1KDM4EGAATPMTPOLB
SCHEMBL6622371 0.75 PDE4B (0.57) PDE4BALDH1A1KDM4EPOLBMAPK1
SCHEMBL11741914 0.75 ALDH1A1 (0.52) ALDH1A1KDM4EGAATPMTSMN1; SMN2
SCHEMBL1191343 0.75 TPMT (0.79) ALDH1A1KDM4EGAATPMTPOLB
SCHEMBL2425789 0.75 GALK1 (0.45) ALDH1A1KDM4EGAATPMTMEN1

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-0858996-B1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARM CO LTD (JP) 2004-10-27 EP disclosed
US-6040331-A Nerve cell protective agents MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-21 US disclosed
EP-0858996-A1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 EP disclosed