SCHEMBL6987350

SCHEMBL6987350

COc1ccc(C(CC=O)C2CCCCC2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX5 P09917 1/20 0.38
EPHX2 P34913 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL8145847 0.76 ALDH1A1 (0.50) MEN1KMT2AALDH1A1HTT
SCHEMBL10747167 0.74 TSHR (0.40) TSHRHTT
SCHEMBL6984545 0.74 MEN1 (0.50) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL7100629 0.72 SLC6A2 (0.46) MEN1KMT2AALDH1A1HTT
SCHEMBL28402652 0.70 AKR1C3 (0.46) MEN1KMT2AALDH1A1L3MBTL1HTT
SCHEMBL31070259 0.70 ALDH1A1 (0.46) MEN1KMT2AALDH1A1RAB9AL3MBTL1
SCHEMBL6980776 0.69 HTT (0.40) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL7682179 0.69 HTT (0.40) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL3832033 0.68 ERN1 (0.43) MEN1KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL3653836 0.67 TAS1R3 (0.37) MEN1KMT2AALDH1A1NPC1RAB9A

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-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed