SCHEMBL7430833

SCHEMBL7430833

O=C(c1c(Cl)cccc1Cl)N1CCC(NCC(O)C2COc3ccccc3O2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LTA4H P09960 9/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
AIMP2 Q13155 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL7439371 0.89 LMNA (0.42) KDM4EALDH1A1LTA4HMAPTMAPK1
SCHEMBL7438055 0.87 GAA (0.42) GAAKDM4EALDH1A1LTA4HMAPT
SCHEMBL7436670 0.86 NPC1 (0.44) LTA4HMAPTSMN1; SMN2NPC1KMT2A
SCHEMBL7435319 0.86 EPHX1 (0.47) ALDH1A1LTA4HMAPTMAPK1LMNA
SCHEMBL7441435 0.86 L3MBTL1 (0.43) GAAKDM4EALDH1A1LTA4HMAPT
SCHEMBL7431782 0.85 SMN1; SMN2 (0.44) GAAKDM4EALDH1A1LTA4HMAPT
SCHEMBL7431583 0.84 POLB (0.42) GAAKDM4EALDH1A1LTA4HMAPT
SCHEMBL7431578 0.84 POLB (0.42) GAAKDM4EALDH1A1LTA4HMAPT
SCHEMBL7432498 0.84 LTA4H (0.52) GAAKDM4EALDH1A1LTA4HMAPT
SCHEMBL7432553 0.83 MAPT (0.47) GAAKDM4EALDH1A1LTA4HMAPT

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed