SCHEMBL23717645

SCHEMBL23717645

C=CC[C@]1(C(=O)O)CCCN(C(=C)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
ADAM17 P78536 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL19011865 1.00 CYP4F2 (0.34) CYP4F2CYP4A11MEN1NPC1RAB9A
SCHEMBL1951057 0.89 MMP2 (0.39) CYP4F2CYP4A11MEN1NPC1RAB9A
SCHEMBL31297015 0.88 MMP2 (0.41) CYP4F2CYP4A11MEN1NPC1RAB9A
SCHEMBL10206359 0.81 ALDH1A1 (0.33) MEN1NPC1RAB9AKMT2A
SCHEMBL10206358 0.80 MEN1 (0.32) MEN1NPC1RAB9AKMT2A
SCHEMBL10205621 0.80 MEN1 (0.33) MEN1NPC1RAB9AKMT2A
SCHEMBL25897225 0.79 MMP2 (0.39) CYP4F2CYP4A11MEN1NPC1RAB9A
SCHEMBL18365736 0.78 NPC1 (0.32) MEN1NPC1RAB9AKMT2A
SCHEMBL27330337 0.77 USP2 (0.38) CYP4F2CYP4A11MEN1KMT2A
SCHEMBL2635493 0.77 MMP2 (0.40) CYP4F2CYP4A11MEN1NPC1RAB9A

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-3858349-A1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME Japan Tobacco Inc. (JP) 2021-08-04 EP disclosed