SCHEMBL9258901

SCHEMBL9258901

O=C(O)C=CCCOc1cccc(-c2ccsc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.41
PPARD Q03181 1/20 0.41
HDAC1 Q13547 6/20 0.40
HDAC2 Q92769 6/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
ACMSD Q8TDX5 1/20 0.40
MCL1 Q07820 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
SLC6A9 P48067 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXRA P19793 1/20 0.38

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
SCHEMBL9258896 1.00 LTB4R (0.41) LTB4RPPARDHDAC1HDAC2HDAC8
SCHEMBL9254793 0.84 PRMT6 (0.39) LTB4RPPARDHDAC1HDAC2HDAC8
SCHEMBL9254796 0.84 PRMT6 (0.39) LTB4RPPARDHDAC1HDAC2HDAC8
SCHEMBL9259547 0.82 PRMT6 (0.44) LTB4RPPARDHDAC1HDAC2HDAC8
SCHEMBL9257607 0.79 ALDH1A1 (0.47) LTB4RPPARDHDAC1HDAC2ALDH1A1
SCHEMBL9254689 0.78 PRMT6 (0.40) LTB4RPPARDHDAC1HDAC2ALDH1A1
SCHEMBL9261099 0.78 LMNA (0.53) LTB4RPPARDKDM4EALDH1A1RXRA
SCHEMBL9260900 0.78 LTB4R (0.45) LTB4RPPARDHDAC1HDAC2SLC6A9
SCHEMBL5504598 0.77 LTB4R (0.42) LTB4RPPARDHDAC1HDAC2ACMSD
SCHEMBL5504603 0.77 HDAC1 (0.45) LTB4RPPARDHDAC1HDAC2MCL1

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
US-5439932-A Anticholesterol agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5306728-A Substituted amine derivatives having antihyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0448078-A2 Substituted amine derivatives having anti-hyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP disclosed