SCHEMBL27341362

SCHEMBL27341362

C=C(C)c1cc(OC)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CYP1A2 P05177 2/20 0.39

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
SCHEMBL16078417 0.84 HTT (0.51) ALDH1A1NPC1RAB9AHPGDMEN1
SCHEMBL13362708 0.84 HTT (0.44) ALDH1A1NPC1RAB9AHPGDMEN1
SCHEMBL16955341 0.83 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AHPGDMEN1
SCHEMBL19122280 0.80 MAPT (0.58) ALDH1A1RAB9AHPGDMEN1KMT2A
SCHEMBL12327906 0.80 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AHPGDMEN1
SCHEMBL1986986 0.80 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AHPGDMEN1
SCHEMBL16961187 0.79 NPC1 (0.40) ALDH1A1NPC1RAB9AHPGDMEN1
SCHEMBL22281530 0.78 NOS2 (0.54) ALDH1A1NPC1RAB9AHPGDMEN1
SCHEMBL28416028 0.78 HPGD (0.47) ALDH1A1NPC1RAB9AHPGDMEN1
SCHEMBL16956027 0.77 NPC1 (0.44) ALDH1A1NPC1RAB9AHPGDMEN1

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
WO-2024003535-A2 COMPOUNDS UNIVERSITY OF DUNDEE (GB) 2024-01-04 WO disclosed