SCHEMBL8882335

SCHEMBL8882335

COC(=O)c1ccc(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)cc1O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.50
▸ ACHE P22303 1/20 0.48
▸ PTGES O14684 1/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ CTSL P07711 1/20 0.47
▸ APP P05067 3/20 0.47
▸ PTPN1 P18031 2/20 0.47
▸ BACE1 P56817 2/20 0.47
▸ MAOB P27338 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ CTSK P43235 1/20 0.46

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
SCHEMBL8882340 1.00 TRPV1 (0.50) TRPV1ACHEPTGESALOX5PTGS1
SCHEMBL8881800 0.86 MAOB (0.55) TRPV1PTGESALOX5PTGS1PTGS2
SCHEMBL8881795 0.86 MAOB (0.55) TRPV1PTGESALOX5PTGS1PTGS2
SCHEMBL16804151 0.81 MAOB (0.62) PTGESALOX5PTGS1PTGS2CTSL
SCHEMBL4652315 0.81 MAOB (0.63) ACHEPTGESPTPN1MAOB
SCHEMBL4652309 0.81 MAOB (0.63) ACHEPTGESPTPN1MAOB
SCHEMBL15970448 0.80 PTPN1 (0.57) TRPV1APPPTPN1BACE1MAOB
SCHEMBL14248732 0.80 PTPN1 (0.57) TRPV1APPPTPN1BACE1MAOB
SCHEMBL15970447 0.80 PTPN1 (0.57) TRPV1APPPTPN1BACE1MAOB
SCHEMBL15970225 0.80 PTPN1 (0.57) TRPV1APPPTPN1BACE1MAOB

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-5646184-A SEBACEOUS SECRETION INHIBITORY ACTIVITY KAO CORPORATION (JP) 1997-07-08 — — US claimed
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