SCHEMBL7440356

SCHEMBL7440356

Cc1cccc(C)c1NC(=O)N1CCC(NCC(O)C2COc3ccccc3O2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
USP2 O75604 2/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LTA4H P09960 3/20 0.41
PAK1 Q13153 1/20 0.41
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX15 P16050 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 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
SCHEMBL7438055 0.89 GAA (0.42) LMNAMAPTSMN1; SMN2NPSR1LTA4H
SCHEMBL7431057 0.88 L3MBTL1 (0.42) LMNAMAPTSMN1; SMN2NPSR1LTA4H
SCHEMBL7436669 0.87 ALDH1A1 (0.52) POLBLMNAMAPTSMN1; SMN2NPSR1
SCHEMBL7428109 0.87 LMNA (0.52) POLBLMNAMAPTSMN1; SMN2NPSR1
SCHEMBL7439371 0.87 LMNA (0.42) POLBLMNAMAPTSMN1; SMN2NPSR1
SCHEMBL7431708 0.87 FAAH (0.45) LMNAMAPTSMN1; SMN2NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL7444391 0.86 ALDH1A1 (0.52) POLBLMNAMAPTSMN1; SMN2NPSR1
SCHEMBL7434405 0.86 ATM (0.48) POLBLMNAMAPTSMN1; SMN2NPSR1
SCHEMBL7434409 0.86 MAPT (0.42) LMNAMAPTSMN1; SMN2NPSR1LTA4H
Acetic Acid SCHEMBL7435033 0.85 ALDH1A1 (0.50) USP2LMNAMAPTSMN1; SMN2NPSR1

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