SCHEMBL8622951

SCHEMBL8622951

O=CN(CCCCC(=O)O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HDAC2 Q92769 6/20 0.45
HDAC8 Q9BY41 6/20 0.45
HDAC6 Q9UBN7 5/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.44
TOP1 P11387 1/20 0.41

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
SCHEMBL9879981 0.99 MAPT (0.49) ALOX5MAPTRXFP1HDAC2HDAC8
SCHEMBL6618522 0.99 MAPT (0.49) ALOX5MAPTRXFP1HDAC2HDAC8
SCHEMBL2906610 0.95 HDAC3 (0.46) ALOX5MAPTRXFP1HDAC2HDAC8
SCHEMBL6951407 0.89 HTT (0.44) ALOX5MAPTRXFP1HDAC2HDAC8
SCHEMBL667448 0.85 CCR6 (0.42) HDAC2HDAC8HDAC6HDAC1HDAC3
SCHEMBL8989071 0.85 L3MBTL1 (0.35) ALOX5HDAC2HDAC8HDAC6HDAC1
SCHEMBL12487487 0.84 CCR6 (0.36) ALOX5HDAC2HDAC8HDAC6HDAC1
SCHEMBL7095566 0.84 HDAC2 (0.45) ALOX5HDAC2HDAC8HDAC6HDAC1
SCHEMBL7081392 0.84 LSS (0.37) ALOX5HTTTOP1CCR6PAX8
SCHEMBL8989023 0.84 CCR6 (0.41) HDAC2HDAC8HDAC6HDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5801271-A CHEMICAL INTERMEDIATES FOR ANTIDEPRESSANTS TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-09-01 US disclosed
EP-0860426-A1 7-(n-substituted amino)-2-phenylheptanoic acid derivative and process for manufacturing the same Takasago International Corporation (JP) 1998-08-26 EP disclosed