SCHEMBL1440336

SCHEMBL1440336

CCCCCOc1ccc(CC[NH])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.55
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP1 P29466 1/20 0.54
KMT2A Q03164 1/20 0.54
SLCO1B3 Q9NPD5 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54
LTA4H P09960 2/20 0.53
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
S1PR4 O95977 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
S1PR5 Q9H228 1/20 0.49
TP53 P04637 2/20 0.49

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
SCHEMBL11667261 0.88 NR5A1 (0.62) NR5A1LMNASMN1; SMN2MEN1USP2
SCHEMBL9036031 0.88 ALDH1A1 (0.61) NR5A1LMNASMN1; SMN2MEN1USP2
SCHEMBL13652482 0.86 NR5A1 (0.60) NR5A1LMNASMN1; SMN2MEN1USP2
SCHEMBL27447908 0.86 ALDH1A1 (0.68) NR5A1LMNASMN1; SMN2MEN1USP2
SCHEMBL29962325 0.86 NR5A1 (0.66) NR5A1LMNASMN1; SMN2MEN1USP2
SCHEMBL12587660 0.86 NR5A1 (0.66) NR5A1LMNASMN1; SMN2MEN1USP2
SCHEMBL19043546 0.86 MEN1 (0.63) NR5A1LMNASMN1; SMN2MEN1USP2
SCHEMBL9016860 0.85 NR5A1 (0.63) NR5A1LMNASMN1; SMN2MEN1USP2
SCHEMBL14101446 0.85 NR5A1 (0.63) NR5A1LMNASMN1; SMN2MEN1USP2
SCHEMBL13763215 0.85 ALDH1A1 (0.71) NR5A1LMNASMN1; SMN2MEN1USP2

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
WO-2011025505-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 WO disclosed
WO-2011025505-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 WO disclosed