SCHEMBL7440714

SCHEMBL7440714

CCSc1ccc(C(C(N)=O)N2CCC(NCC(O)C3COc4ccccc4O3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LTA4H P09960 8/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL7445139 0.92 MAPT (0.35) MAPTLMNASMN1; SMN2NPSR1LTA4H
SCHEMBL7434312 0.92 MAPT (0.38) MAPTLMNASMN1; SMN2NPSR1LTA4H
SCHEMBL7437018 0.91 TSHR (0.32) NPSR1ALDH1A1NPC1POLBGAA
SCHEMBL7443120 0.89 LMNA (0.41) MAPTLMNASMN1; SMN2NPSR1LTA4H
SCHEMBL7439458 0.89 MAPT (0.40) MAPTLMNASMN1; SMN2NPSR1LTA4H
SCHEMBL7440244 0.88 ADRB2 (0.38) MAPTLMNASMN1; SMN2NPSR1LTA4H
SCHEMBL7434347 0.87 MAPT (0.37) MAPTLMNASMN1; SMN2NPSR1LTA4H
SCHEMBL7435907 0.87 KDM4E (0.40) MAPTLMNASMN1; SMN2NPSR1LTA4H
SCHEMBL7428130 0.87 MAPT (0.37) MAPTLMNASMN1; SMN2NPSR1LTA4H
SCHEMBL7431674 0.87 LMNA (0.42) MAPTLMNASMN1; SMN2NPSR1ALDH1A1

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