SCHEMBL18634171

SCHEMBL18634171

COc1cccc(/C=C/C=C/C(=O)C2CCCCC2)c1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 2/20 0.56
▸ TRPM8 Q7Z2W7 3/20 0.55
▸ ALOX5 P09917 1/20 0.50
▸ KMT2A Q03164 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ ABCB1 P08183 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ CYP1A1 P04798 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CAPN1 P07384 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ PRMT1 Q99873 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
SCHEMBL18601625 0.83 TRPM8 (0.51) NFE2L2TRPM8ALOX5KMT2AMAOB
SCHEMBL21798669 0.78 NFE2L2 (0.66) NFE2L2TRPM8ALOX5CYP1A1CYP1A2
SCHEMBL16274575 0.78 HPGD (0.67) NFE2L2TRPM8KMT2AABCB1L3MBTL1
SCHEMBL16274720 0.78 HPGD (0.67) NFE2L2TRPM8KMT2AABCB1L3MBTL1
SCHEMBL11554117 0.74 NFE2L2 (0.66) NFE2L2KMT2AMAOBNPC1RAB9A
SCHEMBL11554121 0.74 NFE2L2 (0.66) NFE2L2KMT2AMAOBNPC1RAB9A
SCHEMBL4393529 0.74 NFE2L2 (0.59) NFE2L2TRPM8ALOX5CYP1A1CYP1A2
SCHEMBL27732245 0.73 NFE2L2 (0.77) NFE2L2TRPM8ALOX5KMT2AMAOB
SCHEMBL7422566 0.72 NFE2L2 (0.56) NFE2L2TRPM8ALOX5KMT2AMAOB
SCHEMBL2744353 0.72 NFE2L2 (1.00) NFE2L2TRPM8ALOX5KMT2AMAOB

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
EP-2810941-B1 NOVEL PIPERINE DERIVATIVE AND USE THEREFOR INDUSTRY-ACADEMIC COOPERATION FOUNDATION YONSEI UNIV (KR) 2017-03-15 — — EP disclosed
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