SCHEMBL9784471

SCHEMBL9784471

CCCCc1ccc(C(=O)NCCCCCCO)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.62
SIGMAR1 Q99720 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
PLK1 P53350 1/20 0.60
POLB P06746 1/20 0.60
NAAA Q02083 2/20 0.59
MLYCD O95822 1/20 0.56
CA2 P00918 1/20 0.55
TRPV1 Q8NER1 1/20 0.54
ESRRG P62508 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HSP90AA1 P07900 1/20 0.52
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL5255837 0.96 L3MBTL1 (0.64) TMEM97SIGMAR1L3MBTL1PLK1POLB
SCHEMBL27325924 0.96 L3MBTL1 (0.64) TMEM97SIGMAR1L3MBTL1PLK1POLB
SCHEMBL16209245 0.96 L3MBTL1 (0.64) TMEM97SIGMAR1L3MBTL1PLK1POLB
SCHEMBL9784422 0.92 L3MBTL1 (0.71) TMEM97SIGMAR1L3MBTL1PLK1NAAA
SCHEMBL27284919 0.91 L3MBTL1 (0.61) TMEM97SIGMAR1L3MBTL1PLK1NAAA
SCHEMBL9491031 0.89 L3MBTL1 (0.71) TMEM97SIGMAR1L3MBTL1PLK1NAAA
SCHEMBL10949132 0.89 PLK1 (0.70) TMEM97SIGMAR1L3MBTL1PLK1NAAA
SCHEMBL15174013 0.87 THRA (0.59) TMEM97SIGMAR1L3MBTL1PLK1NAAA
SCHEMBL13375750 0.86 L3MBTL1 (0.71) TMEM97SIGMAR1L3MBTL1PLK1NAAA
SCHEMBL10948379 0.86 PLK1 (0.70) TMEM97SIGMAR1L3MBTL1PLK1NAAA

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-5003106-A Antiatherosclerotic ureas and thioureas AMERICAN CYANAMID COMPANY (US) 1991-03-26 US disclosed
US-4623662-A ANTICHOLESTEROL, ANTILIPEMIC AMERICAN CYANAMID COMPANY (US) 1986-11-18 US disclosed