SCHEMBL10879554

SCHEMBL10879554

CCCCCCCCCCOc1ccc(COCCCC#CCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.51
PLA2G4B P0C869 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
LTA4H P09960 1/20 0.46
TP53 P04637 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
S1PR5 Q9H228 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL11138808 0.89 NR5A1 (0.59) NR5A1PLA2G4BMEN1KMT2AUSP2
SCHEMBL10875773 0.86 NR5A1 (0.47) NR5A1PLA2G4BMEN1KMT2AUSP2
SCHEMBL18682488 0.83 NR5A1 (0.60) NR5A1PLA2G4BMEN1KMT2AUSP2
SCHEMBL18682486 0.83 NR5A1 (0.60) NR5A1PLA2G4BMEN1KMT2AUSP2
SCHEMBL10875760 0.83 PLA2G4B (0.49) NR5A1PLA2G4BTP53S1PR5TSHR
SCHEMBL10881562 0.82 NR5A1 (0.51) NR5A1PLA2G4BMEN1KMT2AUSP2
SCHEMBL10878715 0.82 NR5A1 (0.51) NR5A1PLA2G4BMEN1KMT2AUSP2
SCHEMBL16727733 0.82 L3MBTL1 (0.56)
SCHEMBL18682481 0.82 NR5A1 (0.57) NR5A1PLA2G4BMEN1KMT2AUSP2
SCHEMBL18644034 0.82 MEN1 (0.68) NR5A1PLA2G4BMEN1KMT2AUSP2

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
EP-0072556-B1 ACARICIDE COMPOUNDS Montedison S.p.A. (IT) 1986-01-29 EP disclosed
EP-0072556-A1 Acaricide compounds Montedison S.p.A. (IT) 1983-02-23 EP disclosed