SCHEMBL11645843

SCHEMBL11645843

C=CCNC(=O)C1COc2cc(C)ccc2O1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ NPC1 O15118 5/20 0.53
▸ HTT P42858 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ HPGD P15428 3/20 0.49
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ GAA P10253 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ MAPT P10636 1/20 0.44

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
SCHEMBL11640701 0.85 HTT (0.53) RAB9AALDH1A1NPC1HTTMEN1
SCHEMBL11640310 0.85 RAB9A (0.51) RAB9AALDH1A1NPC1HTTMEN1
SCHEMBL4651767 0.83 RAB9A (0.71) RAB9AALDH1A1NPC1HTTMEN1
SCHEMBL11528144 0.81 CYP4F2 (0.47) RAB9AALDH1A1NPC1HTTMEN1
SCHEMBL11580216 0.81 HTT (0.53) RAB9AALDH1A1NPC1HTTMEN1
SCHEMBL11663706 0.81 RAB9A (0.53) RAB9AALDH1A1NPC1HTTMEN1
SCHEMBL11469822 0.79 NPC1 (0.52) RAB9AALDH1A1NPC1HTTMEN1
SCHEMBL11544180 0.79 HSD17B10 (0.70) RAB9AALDH1A1NPC1HTTMEN1
SCHEMBL11546891 0.79 HSD17B10 (0.57) RAB9AALDH1A1NPC1HTTMEN1
SCHEMBL11499893 0.78 RAB9A (0.48) RAB9AALDH1A1NPC1HTTMEN1

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-4118507-A Benzodioxincarboxamide lipogenesis inhibitors SHELL OIL COMPANY (US) 1978-10-03 — — US disclosed
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