SCHEMBL5504598

SCHEMBL5504598

[N]C(CCOc1cccc(-c2ccsc2)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.42
PPARD Q03181 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CTSA P10619 1/20 0.40
SLC6A9 P48067 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
P2RX3 P56373 1/20 0.38
MCL1 Q07820 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
KMT2A Q03164 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
SCHEMBL9257607 0.80 ALDH1A1 (0.47) LTB4RPPARDHDAC1HDAC2CYP2E1
SCHEMBL9261099 0.79 LMNA (0.53) LTB4RPPARDRXRARXRBCYP2E1
SCHEMBL9260900 0.79 LTB4R (0.45) LTB4RPPARDHDAC1HDAC2CTSA
SCHEMBL9258748 0.78 PRMT6 (0.43) LTB4RRXRARXRBP2RX3CYP2E1
SCHEMBL5504603 0.78 HDAC1 (0.45) LTB4RPPARDHDAC1HDAC2MCL1
SCHEMBL9255816 0.77 LTB4R (0.43) LTB4RPPARDHDAC1HDAC2CTSA
SCHEMBL9258901 0.77 LTB4R (0.41) LTB4RPPARDHDAC1HDAC2SLC6A9
SCHEMBL9258896 0.77 LTB4R (0.41) LTB4RPPARDHDAC1HDAC2SLC6A9
SCHEMBL14642800 0.76 TAAR1 (0.46) CYP2E1CYP2A6CYP2B6
SCHEMBL9172967 0.75 PRMT6 (0.43) LTB4RPPARDHDAC1HDAC2CTSA

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
EP-1807439-A2 KETOLIDE DERIVATIVES AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2007-07-18 EP disclosed
WO-2006046112-A2 KETOLIDE DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-05-04 WO disclosed