SCHEMBL14229221

SCHEMBL14229221

CCCC(=O)N(c1cc(C)cc(C)c1)C(C)CCC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
TSPO P30536 3/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL14543550 0.90 TP53 (0.36) TP53TSPOLMNASMN1; SMN2
SCHEMBL14229283 0.89 TP53 (0.36) TP53TSPOLMNAMEN1KMT2A
SCHEMBL14229405 0.86 TP53 (0.36) TP53TSPOTAS1R3TAS1R1LMNA
SCHEMBL14229347 0.85 TAS1R3 (0.45) TP53TAS1R3TAS1R1LMNAMEN1
SCHEMBL14229509 0.85 TP53 (0.40) TP53TSPOLMNAMEN1KMT2A
SCHEMBL14200769 0.84 TSPO (0.32) TP53TSPOTAS1R3TAS1R1MEN1
SCHEMBL14228964 0.81 TP53 (0.37) TP53TSPOLMNAMEN1KMT2A
SCHEMBL14230167 0.80 TP53 (0.35) TP53TSPOMEN1KMT2AHTT
SCHEMBL14229261 0.77 KMT2A (0.36) TP53LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL14229510 0.77 MEN1 (0.34) TP53MEN1KMT2ASMN1; SMN2PSEN1

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-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed