SCHEMBL7435691

SCHEMBL7435691

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LTA4H P09960 11/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
AIMP2 Q13155 1/20 0.35

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
SCHEMBL7436658 0.89 LMNA (0.39) GAAALDH1A1KDM4ELTA4HMAPT
SCHEMBL7437776 0.89 LMNA (0.38) ALDH1A1MAPTLMNASMN1; SMN2ADRA1D
Hydrochloric Acid SCHEMBL7444380 0.89 LMNA (0.39) ALDH1A1KDM4ELTA4HMAPTMAPK1
SCHEMBL7435907 0.88 KDM4E (0.40) GAAALDH1A1KDM4ELTA4HMAPT
SCHEMBL7439458 0.87 MAPT (0.40) ALDH1A1KDM4ELTA4HMAPTMAPK1
SCHEMBL7446573 0.87 AIMP2 (0.38) GAAALDH1A1KDM4ELTA4HMAPT
Acetic Acid SCHEMBL7435017 0.87 MAPT (0.38) ALDH1A1KDM4ELTA4HMAPTMAPK1
SCHEMBL7435447 0.86 LMNA (0.38) ALDH1A1KDM4ELTA4HMAPTMAPK1
SCHEMBL7441660 0.85 NPC1 (0.41) ALDH1A1KDM4ELTA4HMAPTLMNA
SCHEMBL7447226 0.85 ALDH1A1 (0.37) GAAALDH1A1KDM4ELTA4HMAPT

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