SCHEMBL9477373

SCHEMBL9477373

N#Cc1ccc(C(C=O)C2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TSHR P16473 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
EPHX1 P07099 2/20 0.42
CYP19A1 P11511 1/20 0.41
SLC6A3 Q01959 2/20 0.38
EPHX2 P34913 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 1/20 0.35
ACKR3 P25106 1/20 0.35
GSK3B P49841 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL10626922 0.84 MAOA (0.42) NPC1RAB9ATSHRMAOAMAOB
SCHEMBL6985435 0.78 EPHX1 (0.39) NPC1RAB9AEPHX1SLC6A3KMT2A
SCHEMBL6510867 0.78 RAB9A (0.44) NPC1RAB9AEPHX1EPHX2SMN1; SMN2
SCHEMBL2442101 0.78 RAB9A (0.44) NPC1RAB9ATSHREPHX1SMN1; SMN2
SCHEMBL6192446 0.78 EPHX1 (0.38) EPHX1SLC6A3EPHX2
SCHEMBL193457 0.78 IDO1 (0.49) EPHX1MEN1KMT2A
SCHEMBL10787273 0.77 SIGMAR1 (0.33) MAOAMAOBEPHX1
SCHEMBL6987430 0.76 EPHX1 (0.37) NPC1RAB9AEPHX1SLC6A3KMT2A
SCHEMBL21368757 0.76 NPC1 (0.41) NPC1RAB9ATSHREPHX1SMN1; SMN2
SCHEMBL1515769 0.75 IDO1 (0.46) RAB9AEPHX1MEN1KMT2A

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-5183587-A LIQUID CRYSTALLINE COMPOUND CHISSO CORPORATION (JP) 1993-02-02 US disclosed