SCHEMBL9616885

SCHEMBL9616885

O=C(O)OCCCCCCC=CCC(CCCCCCOC(=O)O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ HDAC3 O15379 2/20 0.34
▸ HDAC4 P56524 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC7 Q8WUI4 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC10 Q969S8 2/20 0.34
▸ HDAC11 Q96DB2 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34

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
SCHEMBL9616884 0.82 FFAR1 (0.51) CYP1A2NPSR1TDP1LMNAFFAR1
SCHEMBL1837183 0.79 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL1954980 0.79 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL1834483 0.79 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL1838376 0.79 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL1834362 0.78 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL1840525 0.78 NPC1 (0.54) SMN1; SMN2NPC1RAB9ALMNAPPARG
SCHEMBL1837553 0.78 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL1837340 0.78 NPC1 (0.54) SMN1; SMN2NPC1RAB9ALMNAPPARG
SCHEMBL1836562 0.78 NPC1 (0.54) SMN1; SMN2NPC1RAB9ALMNAPPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4206707-A — — None — — JP disclosed
JP-H04206707-A DRIVING ELECTROLYTE OF ELECTROLYTIC CAPACITOR NICHICON CORP 1992-07-28 — — JP disclosed
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