SCHEMBL8675902

SCHEMBL8675902

O=CCN1CCC(C(=O)Oc2ccc(Cc3ccccc3)s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.45
S1PR1 P21453 1/20 0.37
CCR8 P51685 1/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
HTR2A P28223 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8637106 0.77 LTA4H (0.44) LTA4HCCR8ALDH1A1MAPTHPGD
SCHEMBL2356908 0.76 SMN1; SMN2 (0.52) LTA4HCCR8TSHRKMT2AALDH1A1
SCHEMBL7137486 0.74 LTA4H (0.70) LTA4HCCR8ALDH1A1NPSR1
SCHEMBL8637105 0.72 NPSR1 (0.42) LTA4HCCR8KMT2AMEN1ALDH1A1
SCHEMBL8773785 0.70 LTA4H (0.44) LTA4HS1PR1SMN1; SMN2
SCHEMBL16653897 0.69 HTR2A (0.62) KMT2AHTR2AMEN1
SCHEMBL8641935 0.67 LTA4H (0.61) LTA4HCCR8KMT2ASMN1; SMN2
SCHEMBL8551047 0.67 MEN1 (0.59) CCR8TSHRKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL8554468 0.66 MEN1 (0.58) CCR8TSHRKMT2AMEN1ALDH1A1
SCHEMBL3941089 0.64 KDM4E (0.42) LTA4HS1PR1TSHRHPGDNPSR1

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
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed