SCHEMBL8395697

SCHEMBL8395697

CCCCNC(=O)c1ccc2c(c1)nc(CCCC)n2-c1ccc(-c2ccccc2C(=O)O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.51
AGTR1 P30556 2/20 0.49
AGTR2 P50052 1/20 0.49
MAPT P10636 2/20 0.49
ATM Q13315 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL8396137 0.90 HSD17B10 (0.47) AGTR1AGTR2PPARG
SCHEMBL8394747 0.89 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL8396010 0.88 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL8391781 0.88 AGTR1 (0.51) TP53AGTR1AGTR2MAPTPPARG
SCHEMBL8392916 0.87 AGTR1 (0.46) TP53AGTR1AGTR2MAPTSMN1; SMN2
SCHEMBL8394541 0.86 AGTR1 (0.44) TP53AGTR1AGTR2MAPTSMN1; SMN2
SCHEMBL8397132 0.86 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL8392836 0.85 LMNA (0.48) AGTR1AGTR2PPARG
SCHEMBL8392917 0.85 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL8392422 0.85 AGTR1 (0.56) AGTR1AGTR2PPARG

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-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed