SCHEMBL8039219

SCHEMBL8039219

CCCCCCCC/C=C\C=C1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CES1 P23141 2/20 0.43
▸ CDC25A P30304 1/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ FAAH O00519 2/20 0.41
▸ SOAT1 P35610 9/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH2 P05091 1/20 0.41
▸ ALDH3A1 P30838 1/20 0.41
▸ POLM Q9NP87 1/20 0.41
▸ POLK Q9UBT6 1/20 0.41

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
SCHEMBL8039221 1.00 PTPN1 (0.44) PTPN1NPC1RAB9AMITFGAA
Anthraquinone SCHEMBL27605254 0.75 PTPN1 (0.61) PTPN1NPC1RAB9AMITFGAA
SCHEMBL28660875 0.74 NR1H2 (0.48) CES1CDC25AMGLLSOAT1ALDH1A1
Anthraquinone SCHEMBL27698582 0.73 TSHR (0.57) PTPN1NPC1RAB9AMITFGAA
SCHEMBL31544333 0.73 SOAT2 (0.44) CES1CDC25AMGLLFAAHSOAT1
SCHEMBL31544335 0.73 SOAT2 (0.44) CES1CDC25AMGLLFAAHSOAT1
Anthraquinone SCHEMBL27601272 0.73 MEN1 (0.63) PTPN1NPC1RAB9AL3MBTL1CES1
SCHEMBL8008712 0.72 MGLL (0.62) L3MBTL1CES1CDC25AMGLLFAAH
SCHEMBL2359680 0.72 MGLL (0.50) CES1CDC25AMGLLFAAHALDH1A1
SCHEMBL8008707 0.72 MGLL (0.62) L3MBTL1CES1CDC25AMGLLFAAH

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
JP-2000095754-A CAROTENOID COMPOUNDS AND PRODUCTION THEREOF KURARAY CO LTD 2000-04-04 — — JP disclosed
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