SCHEMBL29926569

SCHEMBL29926569

CCCCC[C@H]1O[C@H]1C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.69
▸ CNR2 P34972 3/20 0.69
▸ ALDH1A1 P00352 3/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ BLM P54132 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ TRPV1 Q8NER1 2/20 0.69
▸ TRPM8 Q7Z2W7 1/20 0.69
▸ FAAH O00519 1/20 0.69
▸ KCNK3 O14649 1/20 0.69
▸ HPGD P15428 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ ALOX12 P18054 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64

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
SCHEMBL29927093 0.95 CNR1 (0.69) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL29726562 0.94 CNR1 (0.78) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL29927289 0.94 CNR1 (0.78) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL30600367 0.94 CNR1 (0.78) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL29926596 0.94 CNR1 (0.78) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL4365145 0.86 EPHX2 (0.56) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL1888424 0.86 EPHX2 (0.56) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL12673270 0.85 SLC6A5 (0.58) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL1891652 0.85 EPHX2 (0.62) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL1891580 0.85 EPHX2 (0.59) CNR1CNR2ALDH1A1MEN1BLM

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-11479802-B2 Assays for screening activity of modulators of members of the hydroxy steroid (17-beta) dehydrogenase (HSD17B) family REGENERON PHARMACEUTICALS, INC. (US) 2022-10-25 — — US disclosed
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