SCHEMBL8942633

SCHEMBL8942633

CCCCCCOc1ccc(C(=O)N(O)CCNC(N)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
TSHR P16473 1/20 0.52
PLA2G4B P0C869 4/20 0.51
THRA P10827 2/20 0.51
THRB P10828 2/20 0.51
RARB P10826 3/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SPHK1 Q9NYA1 2/20 0.48
PLA2G4A P47712 1/20 0.47

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
SCHEMBL8942432 0.96 RAB9A (0.46) TP53TSHRTHRATHRBNPC1
SCHEMBL8783244 0.83 NPC1 (0.55) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL8942653 0.81 CA1 (0.47) NPC1RAB9A
SCHEMBL8782667 0.79 NPC1 (0.58) NPC1LMNAMAPTRAB9AHSD17B10
SCHEMBL28576237 0.79 NPC1 (0.62) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL8942404 0.77 SAE1 (0.51)
SCHEMBL8942484 0.76 PARP10 (0.50) NPC1RAB9A
SCHEMBL15172203 0.75 TP53 (0.65) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL8108920 0.74 TP53 (0.73) TP53TSHRPLA2G4BRARBNPC1
SCHEMBL19723267 0.74 TP53 (0.73) TP53TSHRPLA2G4BRARBNPC1

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-5514702-A Arylamidoalkyl-N-hydroxyurea compounds having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1996-05-07 US disclosed