SCHEMBL11289126

SCHEMBL11289126

C/C(=C\COc1ccccc1)CN(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
AOC3 Q16853 3/20 0.41
LSS P48449 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
EGFR P00533 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL11289133 1.00 LTA4H (0.41) LTA4HAOC3LSSSMN1; SMN2LMNA
SCHEMBL7461943 0.79 AOC3 (0.43) LTA4HAOC3LMNAALDH1A1RECQL
SCHEMBL7461946 0.79 AOC3 (0.43) LTA4HAOC3LMNAALDH1A1RECQL
SCHEMBL9426685 0.79 HDAC3 (0.44) LTA4HAOC3LMNAALDH1A1RECQL
SCHEMBL1135899 0.77 NDUFS8 (0.49) LTA4HAOC3LMNAALDH1A1RECQL
SCHEMBL2868632 0.76 LSS (0.40) AOC3LSSLMNAALDH1A1RECQL
SCHEMBL2868634 0.76 LSS (0.40) AOC3LSSLMNAALDH1A1RECQL
SCHEMBL11757158 0.75 TRPV1 (0.56) ALDH1A1MTNR1A
SCHEMBL11639904 0.75 LTA4H (0.55) LTA4HAOC3SMN1; SMN2MAOB
SCHEMBL7536951 0.75 TRPV1 (0.56) ALDH1A1MTNR1A

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-0046283-A2 4-Phenoxy-2-butene derivatives and their use as plant growth regulators J.T. Baker Chemical Co. (US) 1982-02-24 EP disclosed