SCHEMBL7436658

SCHEMBL7436658

Cc1cccc(C)c1C(C(N)=O)N1CCC(NCC(O)C2COc3ccccc3O2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LTA4H P09960 7/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.35
DRD2 P14416 1/20 0.35
MTNR1A P48039 1/20 0.35
GAA P10253 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
Hydrochloric Acid SCHEMBL7444380 0.99 LMNA (0.39) LMNAMAPTSMN1; SMN2NPSR1LTA4H
Acetic Acid SCHEMBL7435017 0.97 MAPT (0.38) LMNAMAPTSMN1; SMN2NPSR1LTA4H
SCHEMBL7435447 0.93 LMNA (0.38) LMNAMAPTSMN1; SMN2NPSR1LTA4H
SCHEMBL7437169 0.93 LMNA (0.31) LMNAMAPTSMN1; SMN2NPSR1LTA4H
SCHEMBL7434579 0.92 CA2 (0.35) LMNAMAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL7439952 0.91 CA2 (0.38) LMNAMAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL7440399 0.91 CA2 (0.38) LMNAMAPTSMN1; SMN2NPSR1LTA4H
SCHEMBL7429561 0.90 CA2 (0.37) NPSR1ALDH1A1KMT2ADRD2
SCHEMBL7435691 0.89 GAA (0.41) LMNAMAPTSMN1; SMN2NPSR1LTA4H
SCHEMBL7446102 0.89 LMNA (0.39) LMNAMAPTALDH1A1MTNR1AGAA

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